N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine

C19H26N4O2S — CID 121258915

IUPACN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CCS(=O)(=O)CC4)CC3)c2c1
InChIInChI=1S/C19H26N4O2S/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-26(24,25)11-9-23/h2,7,12-13,15-16H,3-6,8-11H2,1H3,(H,20,21,22)
InChIKeyLGNKVHCAYRXISB-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.39
Rot. Bonds3

About N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine

N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine (PubChem CID 121258915) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine
PubChem CID121258915
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CCS(=O)(=O)CC4)CC3)c2c1
InChIInChI=1S/C19H26N4O2S/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-26(24,25)11-9-23/h2,7,12-13,15-16H,3-6,8-11H2,1H3,(H,20,21,22)
InChIKeyLGNKVHCAYRXISB-UHFFFAOYSA-N
XLogP2.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
N*2*-(4-Ethanesulfonylmethyl-phenyl)-N*4*-phenyl-quinazoline-2,4-diamine
CID 44271559
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methylsulfonylethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872925
4-amino-6-[[(1S)-1-(6-fluoro-4-methylsulfonyl-3-phenylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 49872927
(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68772423
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]propane-1,3-diamine
CID 71255859
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-2-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391406
N-[2,6-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391672
N-[2,6-difluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391693
N-[2,3-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391700
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-3-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391735
N-[4-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-2-fluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 155399414

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine (CID 121258915) is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NC3CCC(N4CCS(=O)(=O)CC4)CC3)c2c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The InChIKey is LGNKVHCAYRXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-26(24,25)11-9-23/h2,7,12-13,15-16H,3-6,8-11H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine?
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 121258915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).