[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea

C17H24N6O — CID 68955806

IUPAC[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
SMILESCN(C)c1nc(NC2CCC(NC(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H24N6O/c1-23(2)15-13-5-3-4-6-14(13)21-17(22-15)20-12-9-7-11(8-10-12)19-16(18)24/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,24)(H,20,21,22)
InChIKeyJZBYULAQHHGCNZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.09
Rot. Bonds4

About [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea

[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea (PubChem CID 68955806) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
PubChem CID68955806
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
SMILESCN(C)c1nc(NC2CCC(NC(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H24N6O/c1-23(2)15-13-5-3-4-6-14(13)21-17(22-15)20-12-9-7-11(8-10-12)19-16(18)24/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,24)(H,20,21,22)
InChIKeyJZBYULAQHHGCNZ-UHFFFAOYSA-N
XLogP2.09
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea with MolForge

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Related Compounds

4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
1-cyclooctyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612310
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 70997500
benzyl 4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylate
CID 68886825
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2,3,5,6-tetrachlorophenyl)urea
CID 11489612
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382
1-(4-bromo-2,6-dimethylphenyl)-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68885386

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea?
The IUPAC name of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea (CID 68955806) is [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea.
What is the SMILES notation for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea?
The canonical SMILES for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea is CN(C)c1nc(NC2CCC(NC(N)=O)CC2)nc2ccccc12.
What is the InChIKey of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea?
The InChIKey is JZBYULAQHHGCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-23(2)15-13-5-3-4-6-14(13)21-17(22-15)20-12-9-7-11(8-10-12)19-16(18)24/h3-6,11-12H,7-10H2,1-2H3,(H3,18,19,24)(H,20,21,22).
What are the key properties of [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea?
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea is sourced from PubChem (CID 68955806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).