N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O2 — CID 109371210

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NCc3ccncc3)nc(C)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-25-19(13-20(26-15)24-14-17-7-10-22-11-8-17)21(27)23-12-9-16-3-5-18(28-2)6-4-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyGASIDCWRRDTFHH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371210) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371210
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NCc3ccncc3)nc(C)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-25-19(13-20(26-15)24-14-17-7-10-22-11-8-17)21(27)23-12-9-16-3-5-18(28-2)6-4-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyGASIDCWRRDTFHH-UHFFFAOYSA-N
XLogP2.77
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
6-[(2-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109369561
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371330
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364446
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109371210) is N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(NCc3ccncc3)nc(C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is GASIDCWRRDTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-25-19(13-20(26-15)24-14-17-7-10-22-11-8-17)21(27)23-12-9-16-3-5-18(28-2)6-4-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).