4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine

C10H17N3S — CID 80888484

IUPAC4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(SC(C)(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7-6-12-9(11-5)13-8(7)14-10(2,3)4/h6H,1-5H3,(H,11,12,13)
InChIKeyPHDYLDVWOZJWAV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds2

About 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine

4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine (PubChem CID 80888484) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
PubChem CID80888484
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(SC(C)(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7-6-12-9(11-5)13-8(7)14-10(2,3)4/h6H,1-5H3,(H,11,12,13)
InChIKeyPHDYLDVWOZJWAV-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
CID 80887439
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 114157091
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107785336
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
4-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80864579

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine (CID 80888484) is 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine?
The InChIKey is PHDYLDVWOZJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-6-12-9(11-5)13-8(7)14-10(2,3)4/h6H,1-5H3,(H,11,12,13).
What are the key properties of 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine?
4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80888484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).