N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide

C15H18N4O2 — CID 72718214

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C15H18N4O2/c1-19(2)14-8-9-16-13(18-14)10-17-15(20)11-6-4-5-7-12(11)21-3/h4-9H,10H2,1-3H3,(H,17,20)
InChIKeyNSZDBCWEECYDOT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.48
Rot. Bonds5

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 72718214) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID72718214
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1nccc(N(C)C)n1
InChIInChI=1S/C15H18N4O2/c1-19(2)14-8-9-16-13(18-14)10-17-15(20)11-6-4-5-7-12(11)21-3/h4-9H,10H2,1-3H3,(H,17,20)
InChIKeyNSZDBCWEECYDOT-UHFFFAOYSA-N
XLogP1.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sun 8399
CID 131339
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
[4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10449125
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
4-(Cyclopentylamino)-2-[(2-Methoxybenzyl)amino]-N-[3-(2-Oxopyrrolidin-1-Yl)propyl]pyrimidine-5-Carboxamide
CID 70789756
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide (CID 72718214) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1nccc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is NSZDBCWEECYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19(2)14-8-9-16-13(18-14)10-17-15(20)11-6-4-5-7-12(11)21-3/h4-9H,10H2,1-3H3,(H,17,20).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 72718214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).