1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea

C18H24N6O — CID 135543905

IUPAC1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea
SMILESCc1ccc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2c1
InChIInChI=1S/C18H24N6O/c1-11-8-9-15-14(10-11)12(2)20-17(22-15)23-16(19)24-18(25)21-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H4,19,20,21,22,23,24,25)
InChIKeyIJFNMWRASZLSEN-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.82
Rot. Bonds2

About 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea

1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea (PubChem CID 135543905) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea
PubChem CID135543905
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea
SMILESCc1ccc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2c1
InChIInChI=1S/C18H24N6O/c1-11-8-9-15-14(10-11)12(2)20-17(22-15)23-16(19)24-18(25)21-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H4,19,20,21,22,23,24,25)
InChIKeyIJFNMWRASZLSEN-UHFFFAOYSA-N
XLogP2.82
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Importazole
CID 2949965
Senexin A
CID 56927063
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
2,4-Diamino-6-methylquinazoline
CID 345652

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea (CID 135543905) is 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea is Cc1ccc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2c1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea?
The InChIKey is IJFNMWRASZLSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-11-8-9-15-14(10-11)12(2)20-17(22-15)23-16(19)24-18(25)21-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H4,19,20,21,22,23,24,25).
What are the key properties of 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea?
1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-N'-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]urea is sourced from PubChem (CID 135543905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).