1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol

C14H16BrN3O — CID 57392244

IUPAC1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol
SMILESCc1cc(NCC(C)O)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-9-7-13(16-8-10(2)19)18-14(17-9)11-3-5-12(15)6-4-11/h3-7,10,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyGLEVVDJOFBMLQB-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.01
Rot. Bonds4

About 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol

1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 57392244) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID57392244
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol
SMILESCc1cc(NCC(C)O)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-9-7-13(16-8-10(2)19)18-14(17-9)11-3-5-12(15)6-4-11/h3-7,10,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyGLEVVDJOFBMLQB-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol (CID 57392244) is 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol is Cc1cc(NCC(C)O)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is GLEVVDJOFBMLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-7-13(16-8-10(2)19)18-14(17-9)11-3-5-12(15)6-4-11/h3-7,10,19H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol?
1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 322.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 57392244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).