1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one

C12H15N7O2 — CID 168661062

IUPAC1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nc(N)c3nc(CO)cnc3n2)C1
InChIInChI=1S/C12H15N7O2/c13-2-6-1-8(21)19(4-6)12-17-10(14)9-11(18-12)15-3-7(5-20)16-9/h3,6,20H,1-2,4-5,13H2,(H2,14,15,17,18)
InChIKeyBBGBCICSIAYLCW-UHFFFAOYSA-N
MW289.30 g/mol
LogP-1.19
Rot. Bonds3

About 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one

1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one (PubChem CID 168661062) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one
PubChem CID168661062
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2nc(N)c3nc(CO)cnc3n2)C1
InChIInChI=1S/C12H15N7O2/c13-2-6-1-8(21)19(4-6)12-17-10(14)9-11(18-12)15-3-7(5-20)16-9/h3,6,20H,1-2,4-5,13H2,(H2,14,15,17,18)
InChIKeyBBGBCICSIAYLCW-UHFFFAOYSA-N
XLogP-1.19
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-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

1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(chloromethyl)pyrrolidin-2-one
CID 168509271
1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671952
1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663911
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168660952
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
CID 168661466
1-(6-chloro-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663822
4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
CID 168661317
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 168661425

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one (CID 168661062) is 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one is NCC1CC(=O)N(c2nc(N)c3nc(CO)cnc3n2)C1.
What is the InChIKey of 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is BBGBCICSIAYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c13-2-6-1-8(21)19(4-6)12-17-10(14)9-11(18-12)15-3-7(5-20)16-9/h3,6,20H,1-2,4-5,13H2,(H2,14,15,17,18).
What are the key properties of 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one?
1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 289.30 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6-(hydroxymethyl)pteridin-2-yl]-4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168661062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).