2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C12H16N4S — CID 80775595

IUPAC2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2cccs2)n1
InChIInChI=1S/C12H16N4S/c1-3-13-12-15-7-9(2)11(16-12)14-8-10-5-4-6-17-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQREHPFKFWRERAA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.89
Rot. Bonds5

About 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80775595) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80775595
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCc2cccs2)n1
InChIInChI=1S/C12H16N4S/c1-3-13-12-15-7-9(2)11(16-12)14-8-10-5-4-6-17-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQREHPFKFWRERAA-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
2-N-ethyl-5-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807145
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
2-N-[4-methoxy-3-(1,3-oxazol-5-yl)phenyl]-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 10178682
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
4-N-[(4-bromothiophen-2-yl)methyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80837442

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80775595) is 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NCc2cccs2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QREHPFKFWRERAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-13-12-15-7-9(2)11(16-12)14-8-10-5-4-6-17-10/h4-7H,3,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80775595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).