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

C9H14FN3O — CID 103669518

IUPAC4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1ncnc(NCCC(C)O)c1F
InChIInChI=1S/C9H14FN3O/c1-6(14)3-4-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHMJXTOWLJIYPIP-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.11
Rot. Bonds4

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

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 103669518) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID103669518
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1ncnc(NCCC(C)O)c1F
InChIInChI=1S/C9H14FN3O/c1-6(14)3-4-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyHMJXTOWLJIYPIP-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

N-(5-chloro-4-methylpentyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 106154753
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103634964
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
CID 113413399
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol (CID 103669518) is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol is Cc1ncnc(NCCC(C)O)c1F.
What is the InChIKey of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is HMJXTOWLJIYPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6(14)3-4-11-9-8(10)7(2)12-5-13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol?
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-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 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 103669518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).