3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol

C14H17N3OS — CID 114370350

IUPAC3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
SMILESNC(C1CC1)C(CO)Sc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c15-13(9-5-6-9)12(7-18)19-14-10-3-1-2-4-11(10)16-8-17-14/h1-4,8-9,12-13,18H,5-7,15H2
InChIKeyGAWAVARBVDNQNJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.82
Rot. Bonds5

About 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol

3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol (PubChem CID 114370350) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
PubChem CID114370350
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
SMILESNC(C1CC1)C(CO)Sc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c15-13(9-5-6-9)12(7-18)19-14-10-3-1-2-4-11(10)16-8-17-14/h1-4,8-9,12-13,18H,5-7,15H2
InChIKeyGAWAVARBVDNQNJ-UHFFFAOYSA-N
XLogP1.82
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-2-quinazolin-4-ylsulfanylbutan-1-ol
CID 114370346
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
4-cyclopentylsulfanylquinazoline
CID 7160394
3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
CID 62778214
[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
CID 79587309
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
CID 63919256
2-quinazolin-4-ylsulfanylphenol
CID 62026320
2-quinazolin-4-ylsulfanylpentanoic acid
CID 83038001
3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
CID 114370075
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol (CID 114370350) is 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol is NC(C1CC1)C(CO)Sc1ncnc2ccccc12.
What is the InChIKey of 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol?
The InChIKey is GAWAVARBVDNQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-13(9-5-6-9)12(7-18)19-14-10-3-1-2-4-11(10)16-8-17-14/h1-4,8-9,12-13,18H,5-7,15H2.
What are the key properties of 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol?
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol has a molecular weight of 275.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol is sourced from PubChem (CID 114370350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).