6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine

C11H19N3S — CID 107756585

IUPAC6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
SMILESCCC(C)CSCc1nc(C)cc(N)n1
InChIInChI=1S/C11H19N3S/c1-4-8(2)6-15-7-11-13-9(3)5-10(12)14-11/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyJFLYJQBURQYXBH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.65
Rot. Bonds5

About 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine

6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 107756585) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
PubChem CID107756585
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
SMILESCCC(C)CSCc1nc(C)cc(N)n1
InChIInChI=1S/C11H19N3S/c1-4-8(2)6-15-7-11-13-9(3)5-10(12)14-11/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyJFLYJQBURQYXBH-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65137126
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
5-chloro-6-(2-methylbutylsulfanylmethyl)pyridin-2-amine
CID 107756582
6-methyl-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80653859
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
CID 78911841
2-(3,3-dimethylbutyl)-6-methylpyrimidin-4-amine
CID 130484072
6-methyl-2-(oxetan-3-ylsulfanylmethyl)pyrimidin-4-amine
CID 80654809
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-methylamino]propan-1-ol
CID 104554411
6-tert-butyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 65127560
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657248

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine (CID 107756585) is 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine is CCC(C)CSCc1nc(C)cc(N)n1.
What is the InChIKey of 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is JFLYJQBURQYXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-8(2)6-15-7-11-13-9(3)5-10(12)14-11/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine?
6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 107756585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).