N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109304715

IUPACN-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-15(16-8-4-3-5-9-16)24-21-22-13-12-18(25-21)20(26)23-14-17-10-6-7-11-19(17)27-2/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyYBVFHZOXNHABCZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.59
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304715) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304715
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(NC(C)c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-15(16-8-4-3-5-9-16)24-21-22-13-12-18(25-21)20(26)23-14-17-10-6-7-11-19(17)27-2/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyYBVFHZOXNHABCZ-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304715) is N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(NC(C)c2ccccc2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is YBVFHZOXNHABCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(16-8-4-3-5-9-16)24-21-22-13-12-18(25-21)20(26)23-14-17-10-6-7-11-19(17)27-2/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).