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

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Related Compounds

2-[[(2-cyclopropylpyrimidine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 75497816
2-cyclobutylpyrimidine-4-carboxamide
CID 67177134
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 111332085
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 105381317
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-cyclopropyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-4-carboxamide
CID 111696969
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580

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).