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

C10H15FN4S — CID 80836377

IUPAC5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCSCC2C)n1
InChIInChI=1S/C10H15FN4S/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyYAXHJEVMENEHGM-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.60
Rot. Bonds2

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

5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine (PubChem CID 80836377) has the molecular formula C10H15FN4S and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
PubChem CID80836377
Molecular FormulaC10H15FN4S
Molecular Weight242.32 g/mol
Exact Mass242.10
IUPAC Name5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCSCC2C)n1
InChIInChI=1S/C10H15FN4S/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyYAXHJEVMENEHGM-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835791
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
1-[5-fluoro-2-(3-methylthiomorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035380
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851301
N-methyl-2-methylsulfanyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80835888
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836482
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
N-methyl-4-(3-methylthiomorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80820653
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103328077

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine (CID 80836377) is 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCSCC2C)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is YAXHJEVMENEHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4S/c1-7-6-16-4-3-15(7)9-8(11)5-13-10(12-2)14-9/h5,7H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80836377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).