6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

C12H21N3S — CID 107765975

IUPAC6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCSc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H21N3S/c1-8(2)5-6-16-11-7-10(13)14-12(15-11)9(3)4/h7-9H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyASFSRCJLSLHWER-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.32
Rot. Bonds5

About 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107765975) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID107765975
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCSc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H21N3S/c1-8(2)5-6-16-11-7-10(13)14-12(15-11)9(3)4/h7-9H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeyASFSRCJLSLHWER-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899
N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765976
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
6-(4-bromophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962300
6-(3,4-dichlorophenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80963744
6-(4-tert-butylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80962911
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169
4-bromo-6-(3-methylbutylsulfanyl)-2-propylpyrimidine
CID 107751326
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (CID 107765975) is 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)CCSc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ASFSRCJLSLHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)5-6-16-11-7-10(13)14-12(15-11)9(3)4/h7-9H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.32, 5 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-ylpyrimidin-4-amine is sourced from PubChem (CID 107765975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).