2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine

C14H25N3OS — CID 75387376

IUPAC2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOCc1cc(SCCN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)13-15-11(10-18-6)9-12(16-13)19-8-7-17(4)5/h9H,7-8,10H2,1-6H3
InChIKeyGMDLKJLUPPSRHJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.57
Rot. Bonds6

About 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine

2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine (PubChem CID 75387376) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine
PubChem CID75387376
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOCc1cc(SCCN(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)13-15-11(10-18-6)9-12(16-13)19-8-7-17(4)5/h9H,7-8,10H2,1-6H3
InChIKeyGMDLKJLUPPSRHJ-UHFFFAOYSA-N
XLogP2.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-methylamino]butanenitrile
CID 133402733
2-(2-tert-butyl-6-chloropyrimidin-4-yl)sulfanyl-N,N-diethylethanamine
CID 80952585
2-tert-butyl-6-(3-methoxypropylsulfanyl)-N-methylpyrimidin-4-amine
CID 80964211
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-[1-(2-fluorophenyl)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133400592
methyl 3-(6-amino-2-tert-butylpyrimidin-4-yl)sulfanylpropanoate
CID 80963243
4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
CID 80895426
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
CID 80894664
2-tert-butyl-6-(3-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765899
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
CID 115916084

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine (CID 75387376) is 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine is COCc1cc(SCCN(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is GMDLKJLUPPSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,3)13-15-11(10-18-6)9-12(16-13)19-8-7-17(4)5/h9H,7-8,10H2,1-6H3.
What are the key properties of 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine?
2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 75387376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).