8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine

C21H28N8OS — CID 169158071

IUPAC8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine
SMILESNC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCNCC5)[nH]4)nc23)CC1
InChIInChI=1S/C21H28N8OS/c22-15-4-6-16(7-5-15)31(30)17-3-1-2-14-12-24-20(28-19(14)17)26-18-13-25-21(27-18)29-10-8-23-9-11-29/h1-3,12-13,15-16,23H,4-11,22H2,(H,25,27)(H,24,26,28)
InChIKeyCIPVBTUKQPLRIE-UHFFFAOYSA-N
MW440.58 g/mol
LogP1.88
Rot. Bonds5

About 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine

8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine (PubChem CID 169158071) has the molecular formula C21H28N8OS and a molecular weight of 440.58 g/mol. Its IUPAC name is 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine
PubChem CID169158071
Molecular FormulaC21H28N8OS
Molecular Weight440.58 g/mol
Exact Mass440.21
IUPAC Name8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine
SMILESNC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCNCC5)[nH]4)nc23)CC1
InChIInChI=1S/C21H28N8OS/c22-15-4-6-16(7-5-15)31(30)17-3-1-2-14-12-24-20(28-19(14)17)26-18-13-25-21(27-18)29-10-8-23-9-11-29/h1-3,12-13,15-16,23H,4-11,22H2,(H,25,27)(H,24,26,28)
InChIKeyCIPVBTUKQPLRIE-UHFFFAOYSA-N
XLogP1.88
TPSA124.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine with MolForge

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Related Compounds

8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine
CID 169158065
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
N-[3-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-ynamide
CID 118163087
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 171849376
8-[amino(propan-2-yl)amino]-2-N-(6-methyl-5-piperazin-1-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046293
3-(benzenesulfinyl)-8-piperazin-1-ylquinoline
CID 145405985
methane;N-(3-piperazin-1-ylphenyl)-7-piperidin-4-yloxyquinazolin-2-amine
CID 157148191
3-[[8-(3-aminopyrrolidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfinic acid
CID 70947123
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328
8-[5-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(4-piperazin-1-ylphenyl)quinazolin-2-amine
CID 175011381

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The IUPAC name of 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine (CID 169158071) is 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The canonical SMILES for 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine is NC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCNCC5)[nH]4)nc23)CC1.
What is the InChIKey of 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The InChIKey is CIPVBTUKQPLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8OS/c22-15-4-6-16(7-5-15)31(30)17-3-1-2-14-12-24-20(28-19(14)17)26-18-13-25-21(27-18)29-10-8-23-9-11-29/h1-3,12-13,15-16,23H,4-11,22H2,(H,25,27)(H,24,26,28).
What are the key properties of 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine?
8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine has a molecular weight of 440.58 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 169158071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).