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

C13H17N3O — CID 66106208

IUPAC3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
SMILESCC(CCO)CNc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(6-7-17)8-14-13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15,16)
InChIKeyXUPPGNXQLMRGOC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds5

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

3-methyl-4-(quinazolin-4-ylamino)butan-1-ol (PubChem CID 66106208) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
PubChem CID66106208
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
SMILESCC(CCO)CNc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(6-7-17)8-14-13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15,16)
InChIKeyXUPPGNXQLMRGOC-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
3-methyl-4-[(6-nitroquinazolin-4-yl)amino]butan-1-ol
CID 66106875
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 66108387
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
4-[(4-chlorophthalazin-1-yl)amino]-3-methylbutan-1-ol
CID 66108447
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol (CID 66106208) is 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol is CC(CCO)CNc1ncnc2ccccc12.
What is the InChIKey of 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol?
The InChIKey is XUPPGNXQLMRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(6-7-17)8-14-13-11-4-2-3-5-12(11)15-9-16-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol?
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(quinazolin-4-ylamino)butan-1-ol is sourced from PubChem (CID 66106208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).