N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide

C21H21N5O2 — CID 135437295

IUPACN-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide
SMILESCOc1ccc(N/C(=N/c2nc(C)cc(C)n2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H21N5O2/c1-14-13-15(2)23-20(22-14)26-21(24-17-9-11-18(28-3)12-10-17)25-19(27)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyIBZRMRQQVQCUOX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.63
Rot. Bonds4

About N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide

N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide (PubChem CID 135437295) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide
PubChem CID135437295
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide
SMILESCOc1ccc(N/C(=N/c2nc(C)cc(C)n2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H21N5O2/c1-14-13-15(2)23-20(22-14)26-21(24-17-9-11-18(28-3)12-10-17)25-19(27)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyIBZRMRQQVQCUOX-UHFFFAOYSA-N
XLogP3.63
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gnf-2
CID 5311510
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 3224210
N'-(4,6-Dimethyl-2-pyrimidinyl)-3-methoxybenzohydrazide
CID 585625
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4(3H)-one
CID 2880309
5-Ethyl-2-(6-methoxy-4-methyl-quinazolin-2-ylamino)-6-methyl-1H-pyrimidin-4-one
CID 135417044
2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxyphenyl]carbamoyl]benzamide
CID 11611653

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide?
The IUPAC name of N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide (CID 135437295) is N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide is COc1ccc(N/C(=N/c2nc(C)cc(C)n2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide?
The InChIKey is IBZRMRQQVQCUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-13-15(2)23-20(22-14)26-21(24-17-9-11-18(28-3)12-10-17)25-19(27)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide?
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 135437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).