6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine

C11H19N3S — CID 80989878

IUPAC6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(SC(C)(C)C)n1
InChIInChI=1S/C11H19N3S/c1-6-8-13-9(12)7(2)10(14-8)15-11(3,4)5/h6H2,1-5H3,(H2,12,13,14)
InChIKeyNXGKMLPKJRCMBO-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.82
Rot. Bonds2

About 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine

6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80989878) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80989878
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(SC(C)(C)C)n1
InChIInChI=1S/C11H19N3S/c1-6-8-13-9(12)7(2)10(14-8)15-11(3,4)5/h6H2,1-5H3,(H2,12,13,14)
InChIKeyNXGKMLPKJRCMBO-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-5-methylpyrimidin-4-amine
CID 80995681
2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80995752
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
(4-amino-6-chloro-5-methylpyrimidin-2-yl)methanethiol
CID 122575657
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
2-ethyl-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988352

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine (CID 80989878) is 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(SC(C)(C)C)n1.
What is the InChIKey of 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is NXGKMLPKJRCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-6-8-13-9(12)7(2)10(14-8)15-11(3,4)5/h6H2,1-5H3,(H2,12,13,14).
What are the key properties of 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).