1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C15H23N5O — CID 103198708

IUPAC1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(N)nc(C(C)C)nc1N1CCCC2C(=O)NCC21
InChIInChI=1S/C15H23N5O/c1-8(2)13-18-12(16)9(3)14(19-13)20-6-4-5-10-11(20)7-17-15(10)21/h8,10-11H,4-7H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyKALCSSZLBHFGDY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds2

About 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103198708) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103198708
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1c(N)nc(C(C)C)nc1N1CCCC2C(=O)NCC21
InChIInChI=1S/C15H23N5O/c1-8(2)13-18-12(16)9(3)14(19-13)20-6-4-5-10-11(20)7-17-15(10)21/h8,10-11H,4-7H2,1-3H3,(H,17,21)(H2,16,18,19)
InChIKeyKALCSSZLBHFGDY-UHFFFAOYSA-N
XLogP1.21
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103198708) is 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is Cc1c(N)nc(C(C)C)nc1N1CCCC2C(=O)NCC21.
What is the InChIKey of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KALCSSZLBHFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-8(2)13-18-12(16)9(3)14(19-13)20-6-4-5-10-11(20)7-17-15(10)21/h8,10-11H,4-7H2,1-3H3,(H,17,21)(H2,16,18,19).
What are the key properties of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 289.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).