5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine

C11H18FN3S — CID 66000578

IUPAC5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1nc(CSCC(C)C)nc(C)c1F
InChIInChI=1S/C11H18FN3S/c1-7(2)5-16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyLIMZQLOFSPXRMA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.86
Rot. Bonds5

About 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66000578) has the molecular formula C11H18FN3S and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66000578
Molecular FormulaC11H18FN3S
Molecular Weight243.35 g/mol
Exact Mass243.12
IUPAC Name5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
SMILESCNc1nc(CSCC(C)C)nc(C)c1F
InChIInChI=1S/C11H18FN3S/c1-7(2)5-16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyLIMZQLOFSPXRMA-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine (CID 66000578) is 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine is CNc1nc(CSCC(C)C)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is LIMZQLOFSPXRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3S/c1-7(2)5-16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66000578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).