N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide

C24H32N4O2 — CID 110225619

IUPACN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCNc1cc(CC(NC(=O)C2CCC(OC)CC2)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C24H32N4O2/c1-25-22-15-19(26-23(28-22)17-8-9-17)14-21(16-6-4-3-5-7-16)27-24(29)18-10-12-20(30-2)13-11-18/h3-7,15,17-18,20-21H,8-14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyTVCJCFIUAOPQPC-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.00
Rot. Bonds8

About N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide

N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 110225619) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID110225619
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCNc1cc(CC(NC(=O)C2CCC(OC)CC2)c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C24H32N4O2/c1-25-22-15-19(26-23(28-22)17-8-9-17)14-21(16-6-4-3-5-7-16)27-24(29)18-10-12-20(30-2)13-11-18/h3-7,15,17-18,20-21H,8-14H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyTVCJCFIUAOPQPC-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 98065894
N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 92610348
4-methoxy-N-[(1R)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 136676381
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 92560528
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
CID 110225613
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 110225631
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide
CID 119312818
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
CID 119312817
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide (CID 110225619) is N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide is CNc1cc(CC(NC(=O)C2CCC(OC)CC2)c2ccccc2)nc(C2CC2)n1.
What is the InChIKey of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is TVCJCFIUAOPQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25-22-15-19(26-23(28-22)17-8-9-17)14-21(16-6-4-3-5-7-16)27-24(29)18-10-12-20(30-2)13-11-18/h3-7,15,17-18,20-21H,8-14H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide?
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 110225619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).