6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide

C21H28N4O2 — CID 109363807

IUPAC6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-15-23-18(14-20(24-15)25-17-9-4-3-5-10-17)21(26)22-13-12-16-8-6-7-11-19(16)27-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyQHYIHOIFHTUNIS-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.51
Rot. Bonds7

About 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109363807) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109363807
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(NC2CCCCC2)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-15-23-18(14-20(24-15)25-17-9-4-3-5-10-17)21(26)22-13-12-16-8-6-7-11-19(16)27-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyQHYIHOIFHTUNIS-UHFFFAOYSA-N
XLogP3.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351226
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109363807) is 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(NC2CCCCC2)nc(C)n1.
What is the InChIKey of 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is QHYIHOIFHTUNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-23-18(14-20(24-15)25-17-9-4-3-5-10-17)21(26)22-13-12-16-8-6-7-11-19(16)27-2/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).