2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine

C13H18N4S — CID 80830294

IUPAC2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-3-14-13-15-7-6-12(17-13)16-10(2)9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyUTUWGRRDTWPDFF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.01
Rot. Bonds6

About 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80830294) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80830294
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-3-14-13-15-7-6-12(17-13)16-10(2)9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyUTUWGRRDTWPDFF-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 80830294) is 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine is CCNc1nccc(NC(C)Cc2cccs2)n1.
What is the InChIKey of 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is UTUWGRRDTWPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-13-15-7-6-12(17-13)16-10(2)9-11-5-4-8-18-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80830294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).