N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109368382

IUPACN-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-25-20(22(27)24-15-18-7-4-3-5-8-18)14-21(26-16)23-12-11-17-9-6-10-19(13-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLRXWDZZHSWRWIR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds8

About N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109368382) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109368382
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C22H24N4O2/c1-16-25-20(22(27)24-15-18-7-4-3-5-8-18)14-21(26-16)23-12-11-17-9-6-10-19(13-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLRXWDZZHSWRWIR-UHFFFAOYSA-N
XLogP3.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371330
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371357
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109368382) is N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)NCc3ccccc3)nc(C)n2)c1.
What is the InChIKey of N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is LRXWDZZHSWRWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-25-20(22(27)24-15-18-7-4-3-5-8-18)14-21(26-16)23-12-11-17-9-6-10-19(13-17)28-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).