5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine

C10H16FN3S — CID 66000567

IUPAC5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1nc(CSCC(C)C)nc(N)c1F
InChIInChI=1S/C10H16FN3S/c1-6(2)4-15-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDRIKCXAWARVHOY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.40
Rot. Bonds4

About 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine

5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66000567) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66000567
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1nc(CSCC(C)C)nc(N)c1F
InChIInChI=1S/C10H16FN3S/c1-6(2)4-15-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDRIKCXAWARVHOY-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine (CID 66000567) is 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine is Cc1nc(CSCC(C)C)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is DRIKCXAWARVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-6(2)4-15-5-8-13-7(3)9(11)10(12)14-8/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine?
5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 229.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66000567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).