1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C20H32N4OS — CID 45185053

IUPAC1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCSCC2)C1
InChIInChI=1S/C20H32N4OS/c1-20(2)11-17(22-14-5-9-26-10-6-14)16-13-21-19(23-18(16)12-20)24-7-3-15(25)4-8-24/h13-15,17,22,25H,3-12H2,1-2H3
InChIKeyNRIIGLIFZUZPQP-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.94
Rot. Bonds3

About 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 45185053) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
PubChem CID45185053
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
SMILESCC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCSCC2)C1
InChIInChI=1S/C20H32N4OS/c1-20(2)11-17(22-14-5-9-26-10-6-14)16-13-21-19(23-18(16)12-20)24-7-3-15(25)4-8-24/h13-15,17,22,25H,3-12H2,1-2H3
InChIKeyNRIIGLIFZUZPQP-UHFFFAOYSA-N
XLogP2.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(5S)-5-[(6-cyclopropylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97138939
1-[(5S)-5-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 97143924
2-tert-butyl-7,7-dimethyl-N-(3-methylsulfanylpropyl)-6,8-dihydro-5H-quinazolin-5-amine
CID 45170488
1-[5-(Cyclohexylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45171938
N-{2-[4-(hydroxymethyl)-1-piperidinyl]-5,6,7,8-tetrahydro-5-quinazolinyl}-2-(methylthio)acetamide
CID 45187642
(1-{5-[(1-Isopropyl-4-piperidinyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol
CID 45192726
1-(5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45194274
N-[2-(4-hydroxy-1-piperidinyl)-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl]-3-butenamide
CID 45194812
1-[5-(Isopropylamino)-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinol
CID 45211407
1-(5-{[(1,2-dimethyl-1H-imidazol-5-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45221408
1-[7,7-dimethyl-5-[[(E)-2-methylbut-2-enyl]amino]-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
CID 45224307
N-[2-(4-hydroxy-1-piperidinyl)-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl]-3-(methylthio)propanamide
CID 45224808

Frequently Asked Questions

What is the IUPAC name of 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 45185053) is 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CC1(C)Cc2nc(N3CCC(O)CC3)ncc2C(NC2CCSCC2)C1.
What is the InChIKey of 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
The InChIKey is NRIIGLIFZUZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-20(2)11-17(22-14-5-9-26-10-6-14)16-13-21-19(23-18(16)12-20)24-7-3-15(25)4-8-24/h13-15,17,22,25H,3-12H2,1-2H3.
What are the key properties of 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?
1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 376.57 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,7-dimethyl-5-(thian-4-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 45185053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).