2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide

C12H17N3O3 — CID 138023749

IUPAC2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C12H17N3O3/c1-7(17)10(6-16)15-12(18)9-4-5-13-11(14-9)8-2-3-8/h4-5,7-8,10,16-17H,2-3,6H2,1H3,(H,15,18)/t7-,10-/m1/s1
InChIKeyAFTCLZZCIKOJJM-GMSGAONNSA-N
MW251.29 g/mol
LogP-0.17
Rot. Bonds5

About 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide

2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide (PubChem CID 138023749) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
PubChem CID138023749
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C12H17N3O3/c1-7(17)10(6-16)15-12(18)9-4-5-13-11(14-9)8-2-3-8/h4-5,7-8,10,16-17H,2-3,6H2,1H3,(H,15,18)/t7-,10-/m1/s1
InChIKeyAFTCLZZCIKOJJM-GMSGAONNSA-N
XLogP-0.17
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide (CID 138023749) is 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide is C[C@@H](O)[C@@H](CO)NC(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is AFTCLZZCIKOJJM-GMSGAONNSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(17)10(6-16)15-12(18)9-4-5-13-11(14-9)8-2-3-8/h4-5,7-8,10,16-17H,2-3,6H2,1H3,(H,15,18)/t7-,10-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138023749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).