2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine

C13H23N3S — CID 107765899

IUPAC2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCC(C)CCSc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)6-7-17-11-8-10(14)15-12(16-11)13(3,4)5/h8-9H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyUMSDLMIHPAGFRC-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.49
Rot. Bonds4

About 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine

2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine (PubChem CID 107765899) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
PubChem CID107765899
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCC(C)CCSc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3S/c1-9(2)6-7-17-11-8-10(14)15-12(16-11)13(3,4)5/h8-9H,6-7H2,1-5H3,(H2,14,15,16)
InChIKeyUMSDLMIHPAGFRC-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
methyl 3-(6-amino-2-tert-butylpyrimidin-4-yl)sulfanylpropanoate
CID 80963243
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
2-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
CID 114793059
2-tert-butyl-6-(3,4-dichlorophenyl)sulfanylpyrimidin-4-amine
CID 80965067
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169
2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
2-tert-butyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80963270
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine (CID 107765899) is 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine is CC(C)CCSc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine?
The InChIKey is UMSDLMIHPAGFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)6-7-17-11-8-10(14)15-12(16-11)13(3,4)5/h8-9H,6-7H2,1-5H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine?
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 107765899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).