N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine

C12H21N3S — CID 80962750

IUPACN-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(SC(C)C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3S/c1-6-13-10-7-11(16-9(4)5)15-12(14-10)8(2)3/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyAXVLXGOELYTRPO-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine

N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80962750) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID80962750
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(SC(C)C)nc(C(C)C)n1
InChIInChI=1S/C12H21N3S/c1-6-13-10-7-11(16-9(4)5)15-12(14-10)8(2)3/h7-9H,6H2,1-5H3,(H,13,14,15)
InChIKeyAXVLXGOELYTRPO-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
N-ethyl-6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765976
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
tert-butyl 2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylacetate
CID 116688344
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
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
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine (CID 80962750) is N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine is CCNc1cc(SC(C)C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is AXVLXGOELYTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-6-13-10-7-11(16-9(4)5)15-12(14-10)8(2)3/h7-9H,6H2,1-5H3,(H,13,14,15).
What are the key properties of N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80962750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).