2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide

C12H16N4O2 — CID 166311017

IUPAC2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CC[C@@H](O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H16N4O2/c13-11(18)9-5-10(16-4-3-8(17)6-16)15-12(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H2,13,18)/t8-/m1/s1
InChIKeyUPXHORUMEGGRLA-MRVPVSSYSA-N
MW248.29 g/mol
LogP0.02
Rot. Bonds3

About 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide

2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 166311017) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
PubChem CID166311017
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CC[C@@H](O)C2)nc(C2CC2)n1
InChIInChI=1S/C12H16N4O2/c13-11(18)9-5-10(16-4-3-8(17)6-16)15-12(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H2,13,18)/t8-/m1/s1
InChIKeyUPXHORUMEGGRLA-MRVPVSSYSA-N
XLogP0.02
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
CID 80968717
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide (CID 166311017) is 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1cc(N2CC[C@@H](O)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is UPXHORUMEGGRLA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11(18)9-5-10(16-4-3-8(17)6-16)15-12(14-9)7-1-2-7/h5,7-8,17H,1-4,6H2,(H2,13,18)/t8-/m1/s1.
What are the key properties of 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide?
2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 166311017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).