1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea

C20H28N6S — CID 87612634

IUPAC1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
SMILESCN(C)c1nc(NC2CCC(NC(=S)NC3CC3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N6S/c1-26(2)18-16-5-3-4-6-17(16)24-19(25-18)21-13-7-9-14(10-8-13)22-20(27)23-15-11-12-15/h3-6,13-15H,7-12H2,1-2H3,(H,21,24,25)(H2,22,23,27)
InChIKeyLCTWKIZZIBVGBF-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea

1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea (PubChem CID 87612634) has the molecular formula C20H28N6S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
PubChem CID87612634
Molecular FormulaC20H28N6S
Molecular Weight384.55 g/mol
Exact Mass384.21
IUPAC Name1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
SMILESCN(C)c1nc(NC2CCC(NC(=S)NC3CC3)CC2)nc2ccccc12
InChIInChI=1S/C20H28N6S/c1-26(2)18-16-5-3-4-6-17(16)24-19(25-18)21-13-7-9-14(10-8-13)22-20(27)23-15-11-12-15/h3-6,13-15H,7-12H2,1-2H3,(H,21,24,25)(H2,22,23,27)
InChIKeyLCTWKIZZIBVGBF-UHFFFAOYSA-N
XLogP3.05
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea with MolForge

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Related Compounds

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
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2,4,6-tribromophenyl)thiourea
CID 11490753
[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-[(3-methylphenyl)methyl]thiourea
CID 87848678
1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 87849611
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
ethyl 3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]carbamothioylamino]benzoate
CID 87613405
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylphenyl)propanamide
CID 163863609
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
CID 158648688

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea (CID 87612634) is 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea is CN(C)c1nc(NC2CCC(NC(=S)NC3CC3)CC2)nc2ccccc12.
What is the InChIKey of 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea?
The InChIKey is LCTWKIZZIBVGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6S/c1-26(2)18-16-5-3-4-6-17(16)24-19(25-18)21-13-7-9-14(10-8-13)22-20(27)23-15-11-12-15/h3-6,13-15H,7-12H2,1-2H3,(H,21,24,25)(H2,22,23,27).
What are the key properties of 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea?
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea has a molecular weight of 384.55 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea is sourced from PubChem (CID 87612634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).