6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine

C8H14N4S — CID 80893169

IUPAC6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
SMILESCC(C)CSc1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-5(2)4-13-7-3-6(9)11-8(10)12-7/h3,5H,4H2,1-2H3,(H4,9,10,11,12)
InChIKeyXMBKHKTYWIRYDS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.39
Rot. Bonds3

About 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine

6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine (PubChem CID 80893169) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
PubChem CID80893169
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
SMILESCC(C)CSc1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-5(2)4-13-7-3-6(9)11-8(10)12-7/h3,5H,4H2,1-2H3,(H4,9,10,11,12)
InChIKeyXMBKHKTYWIRYDS-UHFFFAOYSA-N
XLogP1.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylpropylsulfanyl)pyrimidin-4-amine
CID 78911841
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772733
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
4-(3-methylbutyl)-2,6-bis(2-methylpropylsulfanyl)pyrimidine
CID 25128806
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80929005
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine (CID 80893169) is 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine is CC(C)CSc1cc(N)nc(N)n1.
What is the InChIKey of 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
The InChIKey is XMBKHKTYWIRYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(2)4-13-7-3-6(9)11-8(10)12-7/h3,5H,4H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine?
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80893169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).