1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide

C10H13N5O3 — CID 168696634

IUPAC1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(N)nc(N2CC(C(N)=O)CC2=O)n1
InChIInChI=1S/C10H13N5O3/c1-18-7-3-6(11)13-10(14-7)15-4-5(9(12)17)2-8(15)16/h3,5H,2,4H2,1H3,(H2,12,17)(H2,11,13,14)
InChIKeyHQURATAIGFACPT-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.09
Rot. Bonds3

About 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696634) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696634
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(N)nc(N2CC(C(N)=O)CC2=O)n1
InChIInChI=1S/C10H13N5O3/c1-18-7-3-6(11)13-10(14-7)15-4-5(9(12)17)2-8(15)16/h3,5H,2,4H2,1H3,(H2,12,17)(H2,11,13,14)
InChIKeyHQURATAIGFACPT-UHFFFAOYSA-N
XLogP-1.09
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696979
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168696464
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698509
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696634) is 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide is COc1cc(N)nc(N2CC(C(N)=O)CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HQURATAIGFACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-18-7-3-6(11)13-10(14-7)15-4-5(9(12)17)2-8(15)16/h3,5H,2,4H2,1H3,(H2,12,17)(H2,11,13,14).
What are the key properties of 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 251.25 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).