(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol

C20H25N3OS — CID 142062457

IUPAC(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol
SMILESC[C@@H](O)CSc1nc2c(c(NC3Cc4ccccc4C3)n1)CCCC2
InChIInChI=1S/C20H25N3OS/c1-13(24)12-25-20-22-18-9-5-4-8-17(18)19(23-20)21-16-10-14-6-2-3-7-15(14)11-16/h2-3,6-7,13,16,24H,4-5,8-12H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyUDJHEQPVOSFOLE-CYBMUJFWSA-N
MW355.51 g/mol
LogP3.41
Rot. Bonds5

About (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol

(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol (PubChem CID 142062457) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol
PubChem CID142062457
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol
SMILESC[C@@H](O)CSc1nc2c(c(NC3Cc4ccccc4C3)n1)CCCC2
InChIInChI=1S/C20H25N3OS/c1-13(24)12-25-20-22-18-9-5-4-8-17(18)19(23-20)21-16-10-14-6-2-3-7-15(14)11-16/h2-3,6-7,13,16,24H,4-5,8-12H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyUDJHEQPVOSFOLE-CYBMUJFWSA-N
XLogP3.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-hexylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142062435
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56909048
2-(2-hydroxypropylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 142062375
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]sulfanyl]propan-2-ol
CID 58972643
N-methyl-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 1480180
4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171914298
3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-phenylbutan-1-ol
CID 133472427
N-(2,3-dihydro-1H-inden-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 107850724
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
methyl 3-[[4-[(4-cyclopropylnaphthalen-1-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]propanoate
CID 175588377
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
3,5-dichloro-6-N-(2,3-dihydro-1H-inden-2-yl)-2-N-ethylpyridine-2,6-diamine
CID 107855385

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol (CID 142062457) is (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol is C[C@@H](O)CSc1nc2c(c(NC3Cc4ccccc4C3)n1)CCCC2.
What is the InChIKey of (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol?
The InChIKey is UDJHEQPVOSFOLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-13(24)12-25-20-22-18-9-5-4-8-17(18)19(23-20)21-16-10-14-6-2-3-7-15(14)11-16/h2-3,6-7,13,16,24H,4-5,8-12H2,1H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol?
(2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol has a molecular weight of 355.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(2,3-dihydro-1H-inden-2-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 142062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).