2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide

C20H23N3O2 — CID 167770691

IUPAC2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCC(Oc2ccccc2)CC1)c1cnc(C2CC2)nc1
InChIInChI=1S/C20H23N3O2/c24-20(15-12-21-19(22-13-15)14-6-7-14)23-16-8-10-18(11-9-16)25-17-4-2-1-3-5-17/h1-5,12-14,16,18H,6-11H2,(H,23,24)
InChIKeyIEVUXTGQSKEVAB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.47
Rot. Bonds5

About 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide

2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide (PubChem CID 167770691) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide
PubChem CID167770691
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCC(Oc2ccccc2)CC1)c1cnc(C2CC2)nc1
InChIInChI=1S/C20H23N3O2/c24-20(15-12-21-19(22-13-15)14-6-7-14)23-16-8-10-18(11-9-16)25-17-4-2-1-3-5-17/h1-5,12-14,16,18H,6-11H2,(H,23,24)
InChIKeyIEVUXTGQSKEVAB-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-2-methylpyrimidine-5-carboxamide
CID 155642446
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
2-[[6-[4-[4-[(5,6-dichloropyridine-3-carbonyl)amino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602678
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
CID 155219529

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide (CID 167770691) is 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide is O=C(NC1CCC(Oc2ccccc2)CC1)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide?
The InChIKey is IEVUXTGQSKEVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(15-12-21-19(22-13-15)14-6-7-14)23-16-8-10-18(11-9-16)25-17-4-2-1-3-5-17/h1-5,12-14,16,18H,6-11H2,(H,23,24).
What are the key properties of 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide?
2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-phenoxycyclohexyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167770691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).