N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide

C18H21ClN4O2 — CID 167865436

IUPACN-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(Cl)c1-c1ncc(C(=O)NC2CCC(N)CC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-4-2-3-14(19)16(15)17-21-9-11(10-22-17)18(24)23-13-7-5-12(20)6-8-13/h2-4,9-10,12-13H,5-8,20H2,1H3,(H,23,24)
InChIKeyLYLOLVJEQPHLAT-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.81
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide

N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 167865436) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID167865436
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(Cl)c1-c1ncc(C(=O)NC2CCC(N)CC2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-4-2-3-14(19)16(15)17-21-9-11(10-22-17)18(24)23-13-7-5-12(20)6-8-13/h2-4,9-10,12-13H,5-8,20H2,1H3,(H,23,24)
InChIKeyLYLOLVJEQPHLAT-UHFFFAOYSA-N
XLogP2.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
8-methoxy-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136433
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide (CID 167865436) is N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide is COc1cccc(Cl)c1-c1ncc(C(=O)NC2CCC(N)CC2)cn1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is LYLOLVJEQPHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-15-4-2-3-14(19)16(15)17-21-9-11(10-22-17)18(24)23-13-7-5-12(20)6-8-13/h2-4,9-10,12-13H,5-8,20H2,1H3,(H,23,24).
What are the key properties of N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide?
N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167865436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).