6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione

C9H12N4O3 — CID 168661390

IUPAC6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESNCC1CC(=O)N(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H12N4O3/c10-3-5-1-8(15)13(4-5)6-2-7(14)12-9(16)11-6/h2,5H,1,3-4,10H2,(H2,11,12,14,16)
InChIKeyJCDQZDATFGZOJQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.63
Rot. Bonds2

About 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 168661390) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID168661390
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESNCC1CC(=O)N(c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H12N4O3/c10-3-5-1-8(15)13(4-5)6-2-7(14)12-9(16)11-6/h2,5H,1,3-4,10H2,(H2,11,12,14,16)
InChIKeyJCDQZDATFGZOJQ-UHFFFAOYSA-N
XLogP-1.63
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-oxopyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 168689959
1-(2,4-dioxo-1H-pyrimidin-6-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716225
4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
CID 83529866
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
CID 107579655
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168506064

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione (CID 168661390) is 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione is NCC1CC(=O)N(c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is JCDQZDATFGZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-3-5-1-8(15)13(4-5)6-2-7(14)12-9(16)11-6/h2,5H,1,3-4,10H2,(H2,11,12,14,16).
What are the key properties of 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione?
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 168661390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).