2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide

C14H19N3O2 — CID 111333190

IUPAC2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1ccnc(C2CC2)n1
InChIInChI=1S/C14H19N3O2/c18-13(16-9-14(19)6-1-2-7-14)11-5-8-15-12(17-11)10-3-4-10/h5,8,10,19H,1-4,6-7,9H2,(H,16,18)
InChIKeyAQISYGXDYGBNEC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.39
Rot. Bonds4

About 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide

2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide (PubChem CID 111333190) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
PubChem CID111333190
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1ccnc(C2CC2)n1
InChIInChI=1S/C14H19N3O2/c18-13(16-9-14(19)6-1-2-7-14)11-5-8-15-12(17-11)10-3-4-10/h5,8,10,19H,1-4,6-7,9H2,(H,16,18)
InChIKeyAQISYGXDYGBNEC-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide (CID 111333190) is 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide is O=C(NCC1(O)CCCC1)c1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is AQISYGXDYGBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(16-9-14(19)6-1-2-7-14)11-5-8-15-12(17-11)10-3-4-10/h5,8,10,19H,1-4,6-7,9H2,(H,16,18).
What are the key properties of 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 111333190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).