4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide

C13H19N3O3 — CID 138023761

IUPAC4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](CO)[C@@H](C)O)c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-7(18)11(6-17)16-13(19)10-5-14-8(2)15-12(10)9-3-4-9/h5,7,9,11,17-18H,3-4,6H2,1-2H3,(H,16,19)/t7-,11-/m1/s1
InChIKeyWDYPXSPODSRBQN-RDDDGLTNSA-N
MW265.31 g/mol
LogP0.13
Rot. Bonds5

About 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide

4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 138023761) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID138023761
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](CO)[C@@H](C)O)c(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-7(18)11(6-17)16-13(19)10-5-14-8(2)15-12(10)9-3-4-9/h5,7,9,11,17-18H,3-4,6H2,1-2H3,(H,16,19)/t7-,11-/m1/s1
InChIKeyWDYPXSPODSRBQN-RDDDGLTNSA-N
XLogP0.13
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide (CID 138023761) is 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H](CO)[C@@H](C)O)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is WDYPXSPODSRBQN-RDDDGLTNSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(18)11(6-17)16-13(19)10-5-14-8(2)15-12(10)9-3-4-9/h5,7,9,11,17-18H,3-4,6H2,1-2H3,(H,16,19)/t7-,11-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide?
4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 138023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).