1-[methyl(quinazolin-2-yl)amino]propan-2-ol

C12H15N3O — CID 114789604

IUPAC1-[methyl(quinazolin-2-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-9(16)8-15(2)12-13-7-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3
InChIKeyDNZFJAAOOKQYHM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds3

About 1-[methyl(quinazolin-2-yl)amino]propan-2-ol

1-[methyl(quinazolin-2-yl)amino]propan-2-ol (PubChem CID 114789604) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[methyl(quinazolin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(quinazolin-2-yl)amino]propan-2-ol
PubChem CID114789604
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[methyl(quinazolin-2-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-9(16)8-15(2)12-13-7-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3
InChIKeyDNZFJAAOOKQYHM-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl(quinazolin-2-yl)amino]propanethioamide
CID 114788724
1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
CID 114789544
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
CID 167588136
N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
CID 114789767
methyl 4-[methyl(quinazolin-2-yl)amino]butanoate
CID 114789702
N-methyl-N-prop-1-en-2-ylquinazolin-2-amine
CID 157035873
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
CID 114788703
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
CID 114788799
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(quinazolin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl(quinazolin-2-yl)amino]propan-2-ol (CID 114789604) is 1-[methyl(quinazolin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl(quinazolin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl(quinazolin-2-yl)amino]propan-2-ol is CC(O)CN(C)c1ncc2ccccc2n1.
What is the InChIKey of 1-[methyl(quinazolin-2-yl)amino]propan-2-ol?
The InChIKey is DNZFJAAOOKQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(16)8-15(2)12-13-7-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-[methyl(quinazolin-2-yl)amino]propan-2-ol?
1-[methyl(quinazolin-2-yl)amino]propan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(quinazolin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 114789604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).