5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine

C10H15FN4S — CID 106445729

IUPAC5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
SMILESCc1nc(C2CSCCN2C)nc(N)c1F
InChIInChI=1S/C10H15FN4S/c1-6-8(11)9(12)14-10(13-6)7-5-16-4-3-15(7)2/h7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyZOZKKSOOKYJCGL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.23
Rot. Bonds1

About 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine

5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine (PubChem CID 106445729) has the molecular formula C10H15FN4S and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
PubChem CID106445729
Molecular FormulaC10H15FN4S
Molecular Weight242.32 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
SMILESCc1nc(C2CSCCN2C)nc(N)c1F
InChIInChI=1S/C10H15FN4S/c1-6-8(11)9(12)14-10(13-6)7-5-16-4-3-15(7)2/h7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyZOZKKSOOKYJCGL-UHFFFAOYSA-N
XLogP1.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 44209099
4-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
CID 59777243
5-Fluoro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 59777318
5-Fluoro-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 59777329
5-Fluoro-4-(fluoromethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 138491874
1-[5-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 138491876
5-Fluoro-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65997780
2-(Cyclohexylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997781
2-(Tert-butylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997785
2-(cyclopentylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65997792
5-fluoro-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65997793
2-(cyclohexylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65997794

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine (CID 106445729) is 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine is Cc1nc(C2CSCCN2C)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
The InChIKey is ZOZKKSOOKYJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4S/c1-6-8(11)9(12)14-10(13-6)7-5-16-4-3-15(7)2/h7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine?
5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine has a molecular weight of 242.32 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106445729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).