4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one

C9H14N6O — CID 168661037

IUPAC4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc(N)c2N)C1
InChIInChI=1S/C9H14N6O/c10-2-5-1-6(16)15(3-5)9-7(11)8(12)13-4-14-9/h4-5H,1-3,10-11H2,(H2,12,13,14)
InChIKeyNDWZQWLFOZZADK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.05
Rot. Bonds2

About 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168661037) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168661037
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc(N)c2N)C1
InChIInChI=1S/C9H14N6O/c10-2-5-1-6(16)15(3-5)9-7(11)8(12)13-4-14-9/h4-5H,1-3,10-11H2,(H2,12,13,14)
InChIKeyNDWZQWLFOZZADK-UHFFFAOYSA-N
XLogP-1.05
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-diaminopyrimidin-4-yl)-4-ethenylpyrrolidin-2-one
CID 168686241
4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
CID 168661466
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
CID 168661017
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
CID 168661063
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one (CID 168661037) is 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncnc(N)c2N)C1.
What is the InChIKey of 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is NDWZQWLFOZZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c10-2-5-1-6(16)15(3-5)9-7(11)8(12)13-4-14-9/h4-5H,1-3,10-11H2,(H2,12,13,14).
What are the key properties of 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 222.25 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).