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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C85H115FN30O13 — CID 161124373

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 161124373) has the molecular formula C85H115FN30O13 and a molecular weight of 1784.05 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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 161124373
• Molecular Formula: C85H115FN30O13
• Molecular Weight: 1784.05 g/mol
• Exact Mass: 1782.92
• IUPAC Name: 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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC#Cc1cn(C(C)C)c(=O)[nH]c1=O.CC(C)n1cc(-c2ccccc2)c(=O)[nH]c1=O.CC(C)n1cc(F)c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)ncnc21.Cc1cn(C(C)C)c(=O)[nH]c1=O.Cc1cn(C(C)C)c(=O)nc1N
• InChI: InChI=1S/C13H14N2O2.C10H12N2O2.C9H12N4.C8H11N5O.C8H11N5.C8H13N3O.C8H12N2O2.C7H9FN2O2.C7H11N3O.C7H10N2O2/c1-9(2)15-8-11(12(16)14-13(15)17)10-6-4-3-5-7-10;1-4-5-8-6-12(7(2)3)10(14)11-9(8)13;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;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;1-4(2)10-3-5(8)6(11)9-7(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/h3-9H,1-2H3,(H,14,16,17);6-7H,1-3H3,(H,11,13,14);3-6H,1-2H3,(H2,10,11,12);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);3-4H,1-2H3,(H,9,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11)
• InChIKey: ULJCHWKRNVZSEL-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 612.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.05
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 161124373) 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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC#Cc1cn(C(C)C)c(=O)[nH]c1=O.CC(C)n1cc(-c2ccccc2)c(=O)[nH]c1=O.CC(C)n1cc(F)c(=O)[nH]c1=O.CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]c(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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is ULJCHWKRNVZSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C10H12N2O2.C9H12N4.C8H11N5O.C8H11N5.C8H13N3O.C8H12N2O2.C7H9FN2O2.C7H11N3O.C7H10N2O2/c1-9(2)15-8-11(12(16)14-13(15)17)10-6-4-3-5-7-10;1-4-5-8-6-12(7(2)3)10(14)11-9(8)13;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;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;1-4(2)10-3-5(8)6(11)9-7(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/h3-9H,1-2H3,(H,14,16,17);6-7H,1-3H3,(H,11,13,14);3-6H,1-2H3,(H2,10,11,12);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);3-4H,1-2H3,(H,9,11,12);3-5H,1-2H3,(H2,8,9,11);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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?

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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1784.05 g/mol, XLogP of 7.06, 11 rotatable bonds, 11 hydrogen bond donors, and 37 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-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).