6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

C21H27FN4O — CID 109371830

IUPAC6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C21H27FN4O/c1-15-24-19(14-20(25-15)26-17-9-4-2-3-5-10-17)21(27)23-13-12-16-8-6-7-11-18(16)22/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRIWDLPKCNDWGGQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.03
Rot. Bonds6

About 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371830) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109371830
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C21H27FN4O/c1-15-24-19(14-20(25-15)26-17-9-4-2-3-5-10-17)21(27)23-13-12-16-8-6-7-11-18(16)22/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRIWDLPKCNDWGGQ-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371826
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109371830) is 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(NC2CCCCCC2)cc(C(=O)NCCc2ccccc2F)n1.
What is the InChIKey of 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is RIWDLPKCNDWGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-15-24-19(14-20(25-15)26-17-9-4-2-3-5-10-17)21(27)23-13-12-16-8-6-7-11-18(16)22/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).