4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C12H17N5O — CID 58082108

IUPAC4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N)c2c(n1)N(CN1CCCC1)C(=O)C2
InChIInChI=1S/C12H17N5O/c1-8-14-11(13)9-6-10(18)17(12(9)15-8)7-16-4-2-3-5-16/h2-7H2,1H3,(H2,13,14,15)
InChIKeyIEOXMOPKMUQKPO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58082108) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58082108
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N)c2c(n1)N(CN1CCCC1)C(=O)C2
InChIInChI=1S/C12H17N5O/c1-8-14-11(13)9-6-10(18)17(12(9)15-8)7-16-4-2-3-5-16/h2-7H2,1H3,(H2,13,14,15)
InChIKeyIEOXMOPKMUQKPO-UHFFFAOYSA-N
XLogP0.31
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-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

2-(Trifluoromethyl)-4-(3,3,3-trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 153361639
1-{3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl}pyrrolidin-2-one
CID 56894712
7-methyl-2,4-dipyrrolidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 57023419
4-amino-2-butoxy-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082092
4-amino-2-butoxy-7-(5-pyrrolidin-1-ylpentyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082096
4-amino-7-[3-(azepan-1-yl)propyl]-2-butoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082098
4-amino-7-[5-(azetidin-1-yl)pentyl]-2-butoxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082099
4-amino-7-[5-(azepan-1-yl)pentyl]-2-(butylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082101
4-amino-2-butoxy-7-(4-pyrrolidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082102
4-amino-2-(butylamino)-7-(3-piperidin-1-ylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082103
4-amino-2-(butylamino)-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082104
4-amino-2-[(2S)-butan-2-yl]oxy-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58082105

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58082108) is 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(N)c2c(n1)N(CN1CCCC1)C(=O)C2.
What is the InChIKey of 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IEOXMOPKMUQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-14-11(13)9-6-10(18)17(12(9)15-8)7-16-4-2-3-5-16/h2-7H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 247.30 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-7-(pyrrolidin-1-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58082108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).