N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109322884

IUPACN-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyDJBAEFFPJMJXPY-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.60
Rot. Bonds5

About N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322884) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109322884
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyDJBAEFFPJMJXPY-UHFFFAOYSA-N
XLogP3.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
methyl 2-[[4-(cyclohexylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322901
N-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109322159
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109322884) is N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1cccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DJBAEFFPJMJXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).