2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

C13H21N3OS — CID 106497894

IUPAC2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SCC2CCCO2)n1
InChIInChI=1S/C13H21N3OS/c1-4-11-15-12(14-3)9(2)13(16-11)18-8-10-6-5-7-17-10/h10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyWTJOPNWWNKWGSS-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.66
Rot. Bonds5

About 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 106497894) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID106497894
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SCC2CCCO2)n1
InChIInChI=1S/C13H21N3OS/c1-4-11-15-12(14-3)9(2)13(16-11)18-8-10-6-5-7-17-10/h10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyWTJOPNWWNKWGSS-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106497697
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
2-ethyl-6-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80994059
2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736034
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80990351
2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80994572
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 106497894) is 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is CCc1nc(NC)c(C)c(SCC2CCCO2)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is WTJOPNWWNKWGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-11-15-12(14-3)9(2)13(16-11)18-8-10-6-5-7-17-10/h10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 106497894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).