3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

C9H14FN3O — CID 103634933

IUPAC3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCc1ncnc(NCC(C)CO)c1F
InChIInChI=1S/C9H14FN3O/c1-6(4-14)3-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyPIURXCNXRVQDFR-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.96
Rot. Bonds4

About 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 103634933) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID103634933
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCc1ncnc(NCC(C)CO)c1F
InChIInChI=1S/C9H14FN3O/c1-6(4-14)3-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyPIURXCNXRVQDFR-UHFFFAOYSA-N
XLogP0.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 103634933) is 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is Cc1ncnc(NCC(C)CO)c1F.
What is the InChIKey of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is PIURXCNXRVQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6(4-14)3-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol?
3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 103634933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).