4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C15H22N4S — CID 80985864

IUPAC4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(CC)Cc2cccs2)n1
InChIInChI=1S/C15H22N4S/c1-5-13-17-14(16-4)11(3)15(18-13)19(6-2)10-12-8-7-9-20-12/h7-9H,5-6,10H2,1-4H3,(H,16,17,18)
InChIKeyRUGAUWFMMICWSG-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.48
Rot. Bonds6

About 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80985864) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80985864
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(CC)Cc2cccs2)n1
InChIInChI=1S/C15H22N4S/c1-5-13-17-14(16-4)11(3)15(18-13)19(6-2)10-12-8-7-9-20-12/h7-9H,5-6,10H2,1-4H3,(H,16,17,18)
InChIKeyRUGAUWFMMICWSG-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798913
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990033
2-[ethyl-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80987036
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
4-N,2-diethyl-6-N,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80976304
2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80982568
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411

Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80985864) is 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(N(CC)Cc2cccs2)n1.
What is the InChIKey of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is RUGAUWFMMICWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-13-17-14(16-4)11(3)15(18-13)19(6-2)10-12-8-7-9-20-12/h7-9H,5-6,10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).