2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione

C58H68N18O8 — CID 157074162

IUPAC2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc(NC(=O)c2ccccc2)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(OCc3ccccc3)nc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C22H21N5O2.C14H15N3O2.C8H11N5O.C7H11N3O.C7H10N2O2/c1-15(2)27-14-23-18-19(27)24-22(25-20(28)17-11-7-4-8-12-17)26-21(18)29-13-16-9-5-3-6-10-16;1-10(2)17-9-8-12(16-14(17)19)15-13(18)11-6-4-3-5-7-11;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-12,14-15H,13H2,1-2H3,(H,24,25,26,28);3-10H,1-2H3,(H,15,16,18,19);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyACTUVCZYZJZXOI-UHFFFAOYSA-N
MW1145.30 g/mol
LogP7.12
Rot. Bonds12

About 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione

2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 157074162) has the molecular formula C58H68N18O8 and a molecular weight of 1145.30 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione
PubChem CID157074162
Molecular FormulaC58H68N18O8
Molecular Weight1145.30 g/mol
Exact Mass1144.55
IUPAC Name2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc(NC(=O)c2ccccc2)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(OCc3ccccc3)nc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C22H21N5O2.C14H15N3O2.C8H11N5O.C7H11N3O.C7H10N2O2/c1-15(2)27-14-23-18-19(27)24-22(25-20(28)17-11-7-4-8-12-17)26-21(18)29-13-16-9-5-3-6-10-16;1-10(2)17-9-8-12(16-14(17)19)15-13(18)11-6-4-3-5-7-11;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-12,14-15H,13H2,1-2H3,(H,24,25,26,28);3-10H,1-2H3,(H,15,16,18,19);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyACTUVCZYZJZXOI-UHFFFAOYSA-N
XLogP7.12
TPSA351.28 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001145.30
LogP ≤ 57.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione with MolForge

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Related Compounds

7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyridin-1-yl)-2-phenyl-oxazolo[5,4-d]pyrimidine
CID 44386707
N-[3-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]phenyl]cyclopropanecarboxamide
CID 44386439
N-{3-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-4-fluoro-benzamide
CID 44386668
N-{4-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-2-methoxy-acetamide
CID 44386698
7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-2-phenyl-oxazolo[5,4-d]pyrimidine
CID 44386751
N'-methyl-N'-phenyl-N-(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)propane-1,3-diamine
CID 44386752
(2-Phenyl-oxazolo[5,4-d]pyrimidin-7-yl)-(3-phenyl-propyl)-amine
CID 44386754
N-{4-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-2-phenyl-acetamide
CID 44386774
7-((3aS,6aS)-1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-2-phenyl-oxazolo[5,4-d]pyrimidine
CID 44386810
N-{3-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-2-methoxy-acetamide
CID 44386848
N-{3-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-2-phenyl-acetamide
CID 44386910
N-{4-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-phenyl}-benzamide
CID 44386912

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione (CID 157074162) is 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc(NC(=O)c2ccccc2)nc1=O.CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(OCc3ccccc3)nc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ACTUVCZYZJZXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.C14H15N3O2.C8H11N5O.C7H11N3O.C7H10N2O2/c1-15(2)27-14-23-18-19(27)24-22(25-20(28)17-11-7-4-8-12-17)26-21(18)29-13-16-9-5-3-6-10-16;1-10(2)17-9-8-12(16-14(17)19)15-13(18)11-6-4-3-5-7-11;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-12,14-15H,13H2,1-2H3,(H,24,25,26,28);3-10H,1-2H3,(H,15,16,18,19);3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11).
What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione?
2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 1145.30 g/mol, XLogP of 7.12, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide;1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 157074162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).