2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide

C9H12N4O2 — CID 123733519

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H12N4O2/c10-8(15)7-1-3-11-9(12-7)13-4-2-6(14)5-13/h1,3,6,14H,2,4-5H2,(H2,10,15)/t6-/m1/s1
InChIKeyHCXDALPKQZXOAP-ZCFIWIBFSA-N
MW208.22 g/mol
LogP-0.85
Rot. Bonds2

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide

2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 123733519) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
PubChem CID123733519
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H12N4O2/c10-8(15)7-1-3-11-9(12-7)13-4-2-6(14)5-13/h1,3,6,14H,2,4-5H2,(H2,10,15)/t6-/m1/s1
InChIKeyHCXDALPKQZXOAP-ZCFIWIBFSA-N
XLogP-0.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
1-(4-carbamothioylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 114081983
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553915
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 173096124
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 166311017
N-[1-(4-carbamothioylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547961

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide (CID 123733519) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is HCXDALPKQZXOAP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(15)7-1-3-11-9(12-7)13-4-2-6(14)5-13/h1,3,6,14H,2,4-5H2,(H2,10,15)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 123733519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).