(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol

C12H15N3O — CID 133428082

IUPAC(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
SMILESCc1ccc2ncnc(N[C@@H](C)CO)c2c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-11-10(5-8)12(14-7-13-11)15-9(2)6-16/h3-5,7,9,16H,6H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCSKWDPIWROPCCL-VIFPVBQESA-N
MW217.27 g/mol
LogP1.73
Rot. Bonds3

About (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol

(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol (PubChem CID 133428082) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
PubChem CID133428082
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
SMILESCc1ccc2ncnc(N[C@@H](C)CO)c2c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-11-10(5-8)12(14-7-13-11)15-9(2)6-16/h3-5,7,9,16H,6H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCSKWDPIWROPCCL-VIFPVBQESA-N
XLogP1.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol (CID 133428082) is (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol is Cc1ccc2ncnc(N[C@@H](C)CO)c2c1.
What is the InChIKey of (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is CSKWDPIWROPCCL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-4-11-10(5-8)12(14-7-13-11)15-9(2)6-16/h3-5,7,9,16H,6H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol?
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133428082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).