N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

C21H32N4O — CID 109364455

IUPACN-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCC2=CCCCC2)cc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C21H32N4O/c1-16-23-19(21(26)25-18-11-7-2-3-8-12-18)15-20(24-16)22-14-13-17-9-5-4-6-10-17/h9,15,18H,2-8,10-14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyJDLXCQGABGXLLL-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.54
Rot. Bonds6

About N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109364455) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109364455
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCC2=CCCCC2)cc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C21H32N4O/c1-16-23-19(21(26)25-18-11-7-2-3-8-12-18)15-20(24-16)22-14-13-17-9-5-4-6-10-17/h9,15,18H,2-8,10-14H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyJDLXCQGABGXLLL-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109364440
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
1-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109364421
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364446
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109364496
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
6-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364541

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109364455) is N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCC2=CCCCC2)cc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is JDLXCQGABGXLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-23-19(21(26)25-18-11-7-2-3-8-12-18)15-20(24-16)22-14-13-17-9-5-4-6-10-17/h9,15,18H,2-8,10-14H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).