1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea

C19H26N6O — CID 135546026

IUPAC1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea
SMILESCc1cc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2cc1C
InChIInChI=1S/C19H26N6O/c1-11-9-15-13(3)21-18(23-16(15)10-12(11)2)24-17(20)25-19(26)22-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3,(H4,20,21,22,23,24,25,26)
InChIKeyCNXMLWKLOHBPKF-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.13
Rot. Bonds2

About 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea

1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea (PubChem CID 135546026) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea
PubChem CID135546026
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea
SMILESCc1cc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2cc1C
InChIInChI=1S/C19H26N6O/c1-11-9-15-13(3)21-18(23-16(15)10-12(11)2)24-17(20)25-19(26)22-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3,(H4,20,21,22,23,24,25,26)
InChIKeyCNXMLWKLOHBPKF-UHFFFAOYSA-N
XLogP3.13
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea (CID 135546026) is 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea is Cc1cc2nc(/N=C(\N)NC(=O)NC3CCCCC3)nc(C)c2cc1C.
What is the InChIKey of 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea?
The InChIKey is CNXMLWKLOHBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-11-9-15-13(3)21-18(23-16(15)10-12(11)2)24-17(20)25-19(26)22-14-7-5-4-6-8-14/h9-10,14H,4-8H2,1-3H3,(H4,20,21,22,23,24,25,26).
What are the key properties of 1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea?
1-cyclohexyl-3-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea has a molecular weight of 354.46 g/mol, XLogP of 3.13, 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'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]urea is sourced from PubChem (CID 135546026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).