3-methyl-1-(quinazolin-4-ylamino)butan-2-ol

C13H17N3O — CID 113240545

IUPAC3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
SMILESCC(C)C(O)CNc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(2)12(17)7-14-13-10-5-3-4-6-11(10)15-8-16-13/h3-6,8-9,12,17H,7H2,1-2H3,(H,14,15,16)
InChIKeyHSXFNVHRZAQANN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol

3-methyl-1-(quinazolin-4-ylamino)butan-2-ol (PubChem CID 113240545) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
PubChem CID113240545
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
SMILESCC(C)C(O)CNc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(2)12(17)7-14-13-10-5-3-4-6-11(10)15-8-16-13/h3-6,8-9,12,17H,7H2,1-2H3,(H,14,15,16)
InChIKeyHSXFNVHRZAQANN-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
(1R)-1-(2-fluorophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 94817432
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-[2-(2-chlorophenoxy)propyl]quinazolin-4-amine
CID 12928989
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
N-(2-bromoprop-2-enyl)quinazolin-4-amine
CID 115594968

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol (CID 113240545) is 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol is CC(C)C(O)CNc1ncnc2ccccc12.
What is the InChIKey of 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol?
The InChIKey is HSXFNVHRZAQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)12(17)7-14-13-10-5-3-4-6-11(10)15-8-16-13/h3-6,8-9,12,17H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol?
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(quinazolin-4-ylamino)butan-2-ol is sourced from PubChem (CID 113240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).