N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109348867

IUPACN-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C21H21ClN4O2/c1-28-19-8-3-2-6-16(19)13-24-20-12-18(25-14-26-20)21(27)23-10-9-15-5-4-7-17(22)11-15/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyBXMKYFHNJAZULT-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.72
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348867) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348867
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C21H21ClN4O2/c1-28-19-8-3-2-6-16(19)13-24-20-12-18(25-14-26-20)21(27)23-10-9-15-5-4-7-17(22)11-15/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyBXMKYFHNJAZULT-UHFFFAOYSA-N
XLogP3.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348414
6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157157
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109348867) is N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccccc1CNc1cc(C(=O)NCCc2cccc(Cl)c2)ncn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is BXMKYFHNJAZULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-28-19-8-3-2-6-16(19)13-24-20-12-18(25-14-26-20)21(27)23-10-9-15-5-4-7-17(22)11-15/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).