2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C15H19N5O — CID 23585152

IUPAC2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCCCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C15H19N5O/c1-2-3-8-20-12-5-7-17-14(21)10(12)9-13(20)11-4-6-18-15(16)19-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,21)(H2,16,18,19)
InChIKeyWVSCBSTWYVXQCH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.61
Rot. Bonds4

About 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585152) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585152
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCCCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O
InChIInChI=1S/C15H19N5O/c1-2-3-8-20-12-5-7-17-14(21)10(12)9-13(20)11-4-6-18-15(16)19-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,21)(H2,16,18,19)
InChIKeyWVSCBSTWYVXQCH-UHFFFAOYSA-N
XLogP1.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585152) is 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCCCn1c(-c2ccnc(N)n2)cc2c1CCNC2=O.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WVSCBSTWYVXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-8-20-12-5-7-17-14(21)10(12)9-13(20)11-4-6-18-15(16)19-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-butyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).