6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C15H27N3S — CID 107766055

IUPAC6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCCC(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3S/c1-6-8-16-13-10-14(19-9-7-11(2)3)18-15(17-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyPXWPUVZJPTUERE-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.56
Rot. Bonds8

About 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 107766055) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID107766055
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCCC(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3S/c1-6-8-16-13-10-14(19-9-7-11(2)3)18-15(17-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyPXWPUVZJPTUERE-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765976
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80963405
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 107766055) is 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(SCCC(C)C)nc(C(C)C)n1.
What is the InChIKey of 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PXWPUVZJPTUERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-8-16-13-10-14(19-9-7-11(2)3)18-15(17-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).