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

C14H25N3S — CID 107765976

IUPACN-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(SCCC(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3S/c1-6-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyWKVICWUFUYPUEI-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.17
Rot. Bonds7

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

N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107765976) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID107765976
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(SCCC(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H25N3S/c1-6-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyWKVICWUFUYPUEI-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80962750
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
tert-butyl 2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylacetate
CID 116688344
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (CID 107765976) is N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(SCCC(C)C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WKVICWUFUYPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-6-15-12-9-13(18-8-7-10(2)3)17-14(16-12)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).