N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide

C20H26N4O — CID 109364018

IUPACN-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-3-24(17-12-8-5-9-13-17)19-14-18(21-15(2)22-19)20(25)23-16-10-6-4-7-11-16/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyKYRMHIVPYRGDBQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.01
Rot. Bonds5

About N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide

N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364018) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364018
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O/c1-3-24(17-12-8-5-9-13-17)19-14-18(21-15(2)22-19)20(25)23-16-10-6-4-7-11-16/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,23,25)
InChIKeyKYRMHIVPYRGDBQ-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
ethyl 4-[[2-methyl-6-(N-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109373030
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367085
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371727
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109364018) is N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NC2CCCCC2)nc(C)n1.
What is the InChIKey of N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is KYRMHIVPYRGDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-24(17-12-8-5-9-13-17)19-14-18(21-15(2)22-19)20(25)23-16-10-6-4-7-11-16/h5,8-9,12-14,16H,3-4,6-7,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).