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

C19H17ClN4O2 — CID 109305811

IUPAC2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-8-6-14(7-9-15)23-18(25)17-10-11-21-19(24-17)22-12-13-4-2-3-5-16(13)20/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyITDIIDOVHUCPGD-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

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

2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109305811) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109305811
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-8-6-14(7-9-15)23-18(25)17-10-11-21-19(24-17)22-12-13-4-2-3-5-16(13)20/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyITDIIDOVHUCPGD-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109305856
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109305811) is 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is ITDIIDOVHUCPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-15-8-6-14(7-9-15)23-18(25)17-10-11-21-19(24-17)22-12-13-4-2-3-5-16(13)20/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).