2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine

C12H21N3OS — CID 80994572

IUPAC2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SCCCOC)n1
InChIInChI=1S/C12H21N3OS/c1-5-10-14-11(13-3)9(2)12(15-10)17-8-6-7-16-4/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyWPFULXGQIWNYFB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine

2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80994572) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80994572
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SCCCOC)n1
InChIInChI=1S/C12H21N3OS/c1-5-10-14-11(13-3)9(2)12(15-10)17-8-6-7-16-4/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyWPFULXGQIWNYFB-UHFFFAOYSA-N
XLogP2.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyethylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
CID 80884465
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
3-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80997107
2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80990351
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
N,N-diethyl-2-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylethanamine
CID 80996460
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine (CID 80994572) is 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(SCCCOC)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WPFULXGQIWNYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-10-14-11(13-3)9(2)12(15-10)17-8-6-7-16-4/h5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine?
2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).