N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

C20H26N4O2 — CID 109250312

IUPACN-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNc2ncc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-18-9-7-15(8-10-18)11-12-21-20-22-13-16(14-23-20)19(25)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQWRHQSZFIIZFAJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds7

About N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109250312) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109250312
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNc2ncc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-18-9-7-15(8-10-18)11-12-21-20-22-13-16(14-23-20)19(25)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQWRHQSZFIIZFAJ-UHFFFAOYSA-N
XLogP3.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (CID 109250312) is N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is COc1ccc(CCNc2ncc(C(=O)NC3CCCCC3)cn2)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is QWRHQSZFIIZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-9-7-15(8-10-18)11-12-21-20-22-13-16(14-23-20)19(25)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109250312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).