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

C20H19ClN4O2 — CID 109308588

IUPACN-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-27-18-5-3-2-4-14(18)10-12-22-20-23-13-11-17(25-20)19(26)24-16-8-6-15(21)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyKTNQHPWVQNRGNI-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.05
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308588) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308588
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4O2/c1-27-18-5-3-2-4-14(18)10-12-22-20-23-13-11-17(25-20)19(26)24-16-8-6-15(21)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyKTNQHPWVQNRGNI-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308588) is N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccccc1CCNc1nccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is KTNQHPWVQNRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-27-18-5-3-2-4-14(18)10-12-22-20-23-13-11-17(25-20)19(26)24-16-8-6-15(21)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).