N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide

C27H26N4O2 — CID 10003251

IUPACN-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(CN(C)c2ccnc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-7-11-21(12-8-19)27(32)29-23-6-4-5-22(17-23)26-28-16-15-25(30-26)31(2)18-20-9-13-24(33-3)14-10-20/h4-17H,18H2,1-3H3,(H,29,32)
InChIKeySUFOHBGTVXCDEP-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.35
Rot. Bonds7

About N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide

N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide (PubChem CID 10003251) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide
PubChem CID10003251
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(CN(C)c2ccnc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-7-11-21(12-8-19)27(32)29-23-6-4-5-22(17-23)26-28-16-15-25(30-26)31(2)18-20-9-13-24(33-3)14-10-20/h4-17H,18H2,1-3H3,(H,29,32)
InChIKeySUFOHBGTVXCDEP-UHFFFAOYSA-N
XLogP5.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
CID 46090574
ethyl 1-(4-methoxyphenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094228
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
6-(dimethylamino)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyridine-3-carboxamide
CID 86812770
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide (CID 10003251) is N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide is COc1ccc(CN(C)c2ccnc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)cc1.
What is the InChIKey of N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is SUFOHBGTVXCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-7-11-21(12-8-19)27(32)29-23-6-4-5-22(17-23)26-28-16-15-25(30-26)31(2)18-20-9-13-24(33-3)14-10-20/h4-17H,18H2,1-3H3,(H,29,32).
What are the key properties of N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide?
N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-methoxyphenyl)methyl-methylamino]pyrimidin-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 10003251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).