3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride

C18H23ClN4O2 — CID 67184808

IUPAC3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-24-16-8-3-2-7-14(16)15-10-17(21-11-20-15)22-18(23)12-5-4-6-13(19)9-12;/h2-3,7-8,10-13H,4-6,9,19H2,1H3,(H,20,21,22,23);1H
InChIKeyLCKZIXNIRVIEFS-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 67184808) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID67184808
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-24-16-8-3-2-7-14(16)15-10-17(21-11-20-15)22-18(23)12-5-4-6-13(19)9-12;/h2-3,7-8,10-13H,4-6,9,19H2,1H3,(H,20,21,22,23);1H
InChIKeyLCKZIXNIRVIEFS-UHFFFAOYSA-N
XLogP3.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509083
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 59509099
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 59508971
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride (CID 67184808) is 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride is COc1ccccc1-c1cc(NC(=O)C2CCCC(N)C2)ncn1.Cl.
What is the InChIKey of 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LCKZIXNIRVIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-24-16-8-3-2-7-14(16)15-10-17(21-11-20-15)22-18(23)12-5-4-6-13(19)9-12;/h2-3,7-8,10-13H,4-6,9,19H2,1H3,(H,20,21,22,23);1H.
What are the key properties of 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67184808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).