1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea

C19H24N6O2 — CID 135771520

IUPAC1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C(=N/c2nc(C)cc(C)n2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N6O2/c1-13-4-6-16(7-5-13)22-19(26)24-18(25-8-10-27-11-9-25)23-17-20-14(2)12-15(3)21-17/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23,24,26)
InChIKeyWCDHGZYLFSNGFU-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.54
Rot. Bonds2

About 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea

1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea (PubChem CID 135771520) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea
PubChem CID135771520
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C(=N/c2nc(C)cc(C)n2)N2CCOCC2)cc1
InChIInChI=1S/C19H24N6O2/c1-13-4-6-16(7-5-13)22-19(26)24-18(25-8-10-27-11-9-25)23-17-20-14(2)12-15(3)21-17/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23,24,26)
InChIKeyWCDHGZYLFSNGFU-UHFFFAOYSA-N
XLogP2.54
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.54
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'}

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Related Compounds

1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-[4-(furan-2-carbonyl)piperazin-1-yl]carbonimidoyl]-3-(4-methylphenyl)urea
CID 135771540
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]-3-(4-methylphenyl)urea
CID 135771482
1-(4-chlorophenyl)-3-[(Z)-C-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4,6-dimethylpyrimidin-2-yl)carbonimidoyl]urea
CID 135771565
1-[(E)-C-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4,6-dimethylpyrimidin-2-yl)carbonimidoyl]-3-(4-methylphenyl)urea
CID 135610009
1-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)carbamoyl]carbamimidoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 135610016
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]-3-phenylurea
CID 135771598
1-(4-chlorophenyl)-3-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]carbonimidoyl]urea
CID 135771506
1-[(E)-N-[(4-chlorophenyl)carbamoyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 135610017
1-(3-chlorophenyl)-3-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-[4-(4-fluorophenyl)piperazin-1-yl]carbonimidoyl]urea
CID 135771533
1-[(E)-C-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4,6-dimethylpyrimidin-2-yl)carbonimidoyl]-3-(3-chlorophenyl)urea
CID 135609993
1-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)sulfonylcarbamoyl]carbamimidoyl]piperidine-4-carboxamide
CID 135687846
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide;hydrochloride
CID 126476570

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea (CID 135771520) is 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N/C(=N/c2nc(C)cc(C)n2)N2CCOCC2)cc1.
What is the InChIKey of 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea?
The InChIKey is WCDHGZYLFSNGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-4-6-16(7-5-13)22-19(26)24-18(25-8-10-27-11-9-25)23-17-20-14(2)12-15(3)21-17/h4-7,12H,8-11H2,1-3H3,(H2,20,21,22,23,24,26).
What are the key properties of 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea?
1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N-(4,6-dimethylpyrimidin-2-yl)-C-morpholin-4-ylcarbonimidoyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 135771520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).