4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one

C68H100N30O10S — CID 158297377

IUPAC4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
SMILESCC(C)c1c[nH]c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=S.CC(C)n1ccc(N)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)ncnc21.Cc1cn(C(C)C)c(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)nc1N
InChIInChI=1S/C8H12N6.C8H11N5O.C8H11N5.C8H13N3O.C8H12N2O2.C7H11N3O.2C7H10N2O2.C7H10N2OS/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)11-4-6(3)7(9)10-8(11)12;1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11;1-4(2)5-3-8-7(11)9-6(5)10;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H4,9,10,12,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);4-5H,1-3H3,(H2,9,10,12);4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11);3-4H,1-2H3,(H2,8,9,10,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyGMBQGOCSFVUKRB-UHFFFAOYSA-N
MW1529.81 g/mol
LogP5.18
Rot. Bonds9

About 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one

4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one (PubChem CID 158297377) has the molecular formula C68H100N30O10S and a molecular weight of 1529.81 g/mol. Its IUPAC name is 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
PubChem CID158297377
Molecular FormulaC68H100N30O10S
Molecular Weight1529.81 g/mol
Exact Mass1528.80
IUPAC Name4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
SMILESCC(C)c1c[nH]c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=S.CC(C)n1ccc(N)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)ncnc21.Cc1cn(C(C)C)c(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)nc1N
InChIInChI=1S/C8H12N6.C8H11N5O.C8H11N5.C8H13N3O.C8H12N2O2.C7H11N3O.2C7H10N2O2.C7H10N2OS/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)11-4-6(3)7(9)10-8(11)12;1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11;1-4(2)5-3-8-7(11)9-6(5)10;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H4,9,10,12,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);4-5H,1-3H3,(H2,9,10,12);4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11);3-4H,1-2H3,(H2,8,9,10,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyGMBQGOCSFVUKRB-UHFFFAOYSA-N
XLogP5.18
TPSA589.90 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds9
Heavy Atoms109
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.81
LogP ≤ 55.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one (CID 158297377) is 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one is CC(C)c1c[nH]c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=S.CC(C)n1ccc(N)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)ncnc21.Cc1cn(C(C)C)c(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)nc1N.
What is the InChIKey of 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is GMBQGOCSFVUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6.C8H11N5O.C8H11N5.C8H13N3O.C8H12N2O2.C7H11N3O.2C7H10N2O2.C7H10N2OS/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)11-4-6(3)7(9)10-8(11)12;1-5(2)10-4-6(3)7(11)9-8(10)12;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11;1-4(2)5-3-8-7(11)9-6(5)10;1-5(2)9-4-3-6(10)8-7(9)11/h3-4H,1-2H3,(H4,9,10,12,13);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11);4-5H,1-3H3,(H2,9,10,12);4-5H,1-3H3,(H,9,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11);3-4H,1-2H3,(H2,8,9,10,11);3-5H,1-2H3,(H,8,10,11).
What are the key properties of 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one?
4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 1529.81 g/mol, XLogP of 5.18, 9 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 158297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).