4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide

C10H12N4O2 — CID 164631208

IUPAC4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@@H]2CNC(=O)C2)n1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-11-9(13-6)10(16)14-7-4-8(15)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,15)(H,14,16)/t7-/m0/s1
InChIKeyRIDNUVHXFMFRRC-ZETCQYMHSA-N
MW220.23 g/mol
LogP-0.60
Rot. Bonds2

About 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide

4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 164631208) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID164631208
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@@H]2CNC(=O)C2)n1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-11-9(13-6)10(16)14-7-4-8(15)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,15)(H,14,16)/t7-/m0/s1
InChIKeyRIDNUVHXFMFRRC-ZETCQYMHSA-N
XLogP-0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 164631208) is 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide is Cc1ccnc(C(=O)N[C@@H]2CNC(=O)C2)n1.
What is the InChIKey of 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is RIDNUVHXFMFRRC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-2-3-11-9(13-6)10(16)14-7-4-8(15)12-5-7/h2-3,7H,4-5H2,1H3,(H,12,15)(H,14,16)/t7-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide?
4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-5-oxopyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 164631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).