5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine

C10H14FN3OS — CID 107765044

IUPAC5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SC2CCOC2C)n1
InChIInChI=1S/C10H14FN3OS/c1-6-8(3-4-15-6)16-9-7(11)5-13-10(12-2)14-9/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyXZKACMYXAPXCKC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds3

About 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine

5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine (PubChem CID 107765044) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
PubChem CID107765044
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SC2CCOC2C)n1
InChIInChI=1S/C10H14FN3OS/c1-6-8(3-4-15-6)16-9-7(11)5-13-10(12-2)14-9/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyXZKACMYXAPXCKC-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyridin-2-amine
CID 114073941
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 107765156
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765069
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765210
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
CID 107750991
5-bromo-2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745879
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine (CID 107765044) is 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(SC2CCOC2C)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine?
The InChIKey is XZKACMYXAPXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-6-8(3-4-15-6)16-9-7(11)5-13-10(12-2)14-9/h5-6,8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.93, 3 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-(2-methyloxolan-3-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 107765044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).