N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide

C27H37N5O — CID 91097981

IUPACN-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCC3CCCCC3)c(C3(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C27H37N5O/c1-31-16-18-32(19-17-31)26-29-20-23(25(33)28-15-12-21-8-4-2-5-9-21)24(30-26)27(13-14-27)22-10-6-3-7-11-22/h3,6-7,10-11,20-21H,2,4-5,8-9,12-19H2,1H3,(H,28,33)
InChIKeyUGEWCUJIDQLYIQ-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.01
Rot. Bonds7

About N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide

N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide (PubChem CID 91097981) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
PubChem CID91097981
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCC3CCCCC3)c(C3(c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C27H37N5O/c1-31-16-18-32(19-17-31)26-29-20-23(25(33)28-15-12-21-8-4-2-5-9-21)24(30-26)27(13-14-27)22-10-6-3-7-11-22/h3,6-7,10-11,20-21H,2,4-5,8-9,12-19H2,1H3,(H,28,33)
InChIKeyUGEWCUJIDQLYIQ-UHFFFAOYSA-N
XLogP4.01
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11539625
N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 90887212
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11692158
N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 90910419
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11627381
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
N-[(3,4-dichlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11584458
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11518649
3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidin-5-yl]methanone
CID 11627131
N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 11648174
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 90802668
N-benzyl-N-ethyl-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11496205

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide (CID 91097981) is N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide is CN1CCN(c2ncc(C(=O)NCCC3CCCCC3)c(C3(c4ccccc4)CC3)n2)CC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The InChIKey is UGEWCUJIDQLYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-31-16-18-32(19-17-31)26-29-20-23(25(33)28-15-12-21-8-4-2-5-9-21)24(30-26)27(13-14-27)22-10-6-3-7-11-22/h3,6-7,10-11,20-21H,2,4-5,8-9,12-19H2,1H3,(H,28,33).
What are the key properties of N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide has a molecular weight of 447.63 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91097981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).