4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

C9H12N4O — CID 168700328

IUPAC4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2cncnc2)C1
InChIInChI=1S/C9H12N4O/c10-8-1-9(14)13(5-8)4-7-2-11-6-12-3-7/h2-3,6,8H,1,4-5,10H2
InChIKeyIDECAOVKGMJMEP-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.46
Rot. Bonds2

About 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168700328) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
PubChem CID168700328
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2cncnc2)C1
InChIInChI=1S/C9H12N4O/c10-8-1-9(14)13(5-8)4-7-2-11-6-12-3-7/h2-3,6,8H,1,4-5,10H2
InChIKeyIDECAOVKGMJMEP-UHFFFAOYSA-N
XLogP-0.46
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168508497
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-amino-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 168700339
4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
CID 112514914
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
CID 168697321
4-amino-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-one
CID 168700336
4-amino-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168700333
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168700270

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (CID 168700328) is 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is NC1CC(=O)N(Cc2cncnc2)C1.
What is the InChIKey of 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is IDECAOVKGMJMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-8-1-9(14)13(5-8)4-7-2-11-6-12-3-7/h2-3,6,8H,1,4-5,10H2.
What are the key properties of 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168700328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).