1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol

C17H20FN3O — CID 138019746

IUPAC1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol
SMILESCc1cc(NCC(C)(O)c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C17H20FN3O/c1-11-8-15(21-16(20-11)12-6-7-12)19-10-17(2,22)13-4-3-5-14(18)9-13/h3-5,8-9,12,22H,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyMRPBETLOYVSBDH-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.12
Rot. Bonds5

About 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol

1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol (PubChem CID 138019746) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol
PubChem CID138019746
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol
SMILESCc1cc(NCC(C)(O)c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C17H20FN3O/c1-11-8-15(21-16(20-11)12-6-7-12)19-10-17(2,22)13-4-3-5-14(18)9-13/h3-5,8-9,12,22H,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyMRPBETLOYVSBDH-UHFFFAOYSA-N
XLogP3.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)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-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol (CID 138019746) is 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol is Cc1cc(NCC(C)(O)c2cccc(F)c2)nc(C2CC2)n1.
What is the InChIKey of 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol?
The InChIKey is MRPBETLOYVSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-8-15(21-16(20-11)12-6-7-12)19-10-17(2,22)13-4-3-5-14(18)9-13/h3-5,8-9,12,22H,6-7,10H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol?
1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol has a molecular weight of 301.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 138019746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).