2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol

C14H19N3O — CID 113234742

IUPAC2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-8-14(2,18)9-15-13-11-6-4-5-7-12(11)16-10-17-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQLKQMYPCLZIAEJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol

2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol (PubChem CID 113234742) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
PubChem CID113234742
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-8-14(2,18)9-15-13-11-6-4-5-7-12(11)16-10-17-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQLKQMYPCLZIAEJ-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
N-[1-chloro-2-(chloromethyl)butan-2-yl]quinazolin-4-amine
CID 107867363
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-(2-bromoprop-2-enyl)quinazolin-4-amine
CID 115594968
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol (CID 113234742) is 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol is CCCC(C)(O)CNc1ncnc2ccccc12.
What is the InChIKey of 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol?
The InChIKey is QLKQMYPCLZIAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-14(2,18)9-15-13-11-6-4-5-7-12(11)16-10-17-13/h4-7,10,18H,3,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol?
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol is sourced from PubChem (CID 113234742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).