4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine

C10H17N3S — CID 107766010

IUPAC4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCc1cc(SCCC(C)C)nc(N)n1
InChIInChI=1S/C10H17N3S/c1-7(2)4-5-14-9-6-8(3)12-10(11)13-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyNFOUFTBZALFMOP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.51
Rot. Bonds4

About 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine

4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine (PubChem CID 107766010) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
PubChem CID107766010
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
SMILESCc1cc(SCCC(C)C)nc(N)n1
InChIInChI=1S/C10H17N3S/c1-7(2)4-5-14-9-6-8(3)12-10(11)13-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyNFOUFTBZALFMOP-UHFFFAOYSA-N
XLogP2.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
4-methyl-6-prop-2-enylsulfanylpyrimidin-2-amine
CID 130157001
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine (CID 107766010) is 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine is Cc1cc(SCCC(C)C)nc(N)n1.
What is the InChIKey of 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
The InChIKey is NFOUFTBZALFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)4-5-14-9-6-8(3)12-10(11)13-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine?
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 107766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).