5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine

C11H12FN5O — CID 102952722

IUPAC5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(OC)ncn2)nc(C)c1F
InChIInChI=1S/C11H12FN5O/c1-6-9(12)11(13-2)17-10(16-6)7-4-8(18-3)15-5-14-7/h4-5H,1-3H3,(H,13,16,17)
InChIKeyXIRBRPZZDUFFTN-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.43
Rot. Bonds3

About 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine

5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 102952722) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID102952722
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(OC)ncn2)nc(C)c1F
InChIInChI=1S/C11H12FN5O/c1-6-9(12)11(13-2)17-10(16-6)7-4-8(18-3)15-5-14-7/h4-5H,1-3H3,(H,13,16,17)
InChIKeyXIRBRPZZDUFFTN-UHFFFAOYSA-N
XLogP1.43
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952684
2-(6-methoxypyrimidin-4-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 102952705
5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 113329095
[2-(6-methoxypyrimidin-4-yl)-6-methylpyrimidin-4-yl]methanol
CID 102952908
2-(6-methoxypyrimidin-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 102952685
4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
CID 102949864
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102953176
1-[2-(6-methoxypyrimidin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952808
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
5-fluoro-N,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66000214

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine (CID 102952722) is 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(OC)ncn2)nc(C)c1F.
What is the InChIKey of 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XIRBRPZZDUFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-6-9(12)11(13-2)17-10(16-6)7-4-8(18-3)15-5-14-7/h4-5H,1-3H3,(H,13,16,17).
What are the key properties of 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine?
5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 249.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).