N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109351455

IUPACN-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14-3-6-16(11-18(14)22)26-21(27)19-12-20(25-13-24-19)23-10-9-15-4-7-17(28-2)8-5-15/h3-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyVSRQDYOZAOUKKZ-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.35
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109351455) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109351455
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C21H21ClN4O2/c1-14-3-6-16(11-18(14)22)26-21(27)19-12-20(25-13-24-19)23-10-9-15-4-7-17(28-2)8-5-15/h3-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyVSRQDYOZAOUKKZ-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109351455) is N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ncn2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is VSRQDYOZAOUKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-3-6-16(11-18(14)22)26-21(27)19-12-20(25-13-24-19)23-10-9-15-4-7-17(28-2)8-5-15/h3-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).