1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea

C25H36N6O — CID 23027071

About 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea

1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea (PubChem CID 23027071) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea.

Molecular Properties

• Compound Name: 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
• PubChem CID: 23027071
• Molecular Formula: C25H36N6O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.30
• IUPAC Name: 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
• SMILES: CC(NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccccc1
• InChI: InChI=1S/C25H36N6O/c1-17(18-9-5-4-6-10-18)26-25(32)28-20-15-13-19(14-16-20)27-24-29-22-12-8-7-11-21(22)23(30-24)31(2)3/h4-6,9-10,17,19-20H,7-8,11-16H2,1-3H3,(H2,26,28,32)(H,27,29,30)
• InChIKey: MNMVMIGTERWHDO-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?

The IUPAC name of 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea (CID 23027071) is 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea.

What is the SMILES notation for 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?

The canonical SMILES for 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea is CC(NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccccc1.

What is the InChIKey of 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?

The InChIKey is MNMVMIGTERWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-17(18-9-5-4-6-10-18)26-25(32)28-20-15-13-19(14-16-20)27-24-29-22-12-8-7-11-21(22)23(30-24)31(2)3/h4-6,9-10,17,19-20H,7-8,11-16H2,1-3H3,(H2,26,28,32)(H,27,29,30).

What are the key properties of 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?

1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea has a molecular weight of 436.60 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 23027071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).