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

C9H14FN3O — CID 103634682

IUPAC2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-3-7(4-14)13-9-8(10)6(2)11-5-12-9/h5,7,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyPPERBKWJWVHCOI-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.11
Rot. Bonds4

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

2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 103634682) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID103634682
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-3-7(4-14)13-9-8(10)6(2)11-5-12-9/h5,7,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyPPERBKWJWVHCOI-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{3-[(5,6-Dimethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72906961
3-((5-Chloro-6-(difluoromethyl)pyrimidin-4-yl)amino)propan-1-ol
CID 171390658
2-((4-(Trifluoromethyl)pyrimidin-2-yl)amino)butan-1-ol
CID 60394020
2-{[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]amino}ethan-1-ol
CID 132376174
2-[[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 67876114
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
5-fluoro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549378
(2S)-1-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 162513921
2-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 162514057
1-Ethyl-3-[5-fluoro-6-(hydroxymethyl)pyrimidin-4-yl]urea
CID 172603480
1-[[5-Chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 175179778
(2R)-2-[[5-chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 175780805

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol (CID 103634682) is 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncnc(C)c1F.
What is the InChIKey of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is PPERBKWJWVHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-3-7(4-14)13-9-8(10)6(2)11-5-12-9/h5,7,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol?
2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 103634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).