4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine

C9H14FN3O — CID 80866074

IUPAC4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC(C)Oc1nc(NC)ncc1F
InChIInChI=1S/C9H14FN3O/c1-4-6(2)14-8-7(10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyLXIXBXBEILUCCH-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.83
Rot. Bonds4

About 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine

4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80866074) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80866074
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCC(C)Oc1nc(NC)ncc1F
InChIInChI=1S/C9H14FN3O/c1-4-6(2)14-8-7(10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyLXIXBXBEILUCCH-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80860288
4-(1-ethoxypropan-2-yloxy)-N,5-dimethylpyrimidin-2-amine
CID 103491515
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
[5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]hydrazine
CID 80922585
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
CID 80859947
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine (CID 80866074) is 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine is CCC(C)Oc1nc(NC)ncc1F.
What is the InChIKey of 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is LXIXBXBEILUCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-4-6(2)14-8-7(10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine?
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80866074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).