(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol

C9H14FN3O — CID 130718347

IUPAC(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1nc(C)c(F)c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H14FN3O/c1-5(14)4-11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13)/t5-/m1/s1
InChIKeyLDCWWJHHRDHUMJ-RXMQYKEDSA-N
MW199.23 g/mol
LogP1.03
Rot. Bonds3

About (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol

(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 130718347) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID130718347
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1nc(C)c(F)c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H14FN3O/c1-5(14)4-11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13)/t5-/m1/s1
InChIKeyLDCWWJHHRDHUMJ-RXMQYKEDSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol (CID 130718347) is (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol is Cc1nc(C)c(F)c(NC[C@@H](C)O)n1.
What is the InChIKey of (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is LDCWWJHHRDHUMJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-5(14)4-11-9-8(10)6(2)12-7(3)13-9/h5,14H,4H2,1-3H3,(H,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 130718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).