5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80825152

IUPAC5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccsc2)c1C
InChIInChI=1S/C14H20N4S/c1-4-6-15-13-10(2)14(17-9-16-13)18-11(3)12-5-7-19-8-12/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyZQJKLCFRXAMBCY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.84
Rot. Bonds6

About 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80825152) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80825152
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccsc2)c1C
InChIInChI=1S/C14H20N4S/c1-4-6-15-13-10(2)14(17-9-16-13)18-11(3)12-5-7-19-8-12/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyZQJKLCFRXAMBCY-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122
6-hydrazinyl-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80919084
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63729190
6-N-methyl-5-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825050
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783060
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80825152) is 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2ccsc2)c1C.
What is the InChIKey of 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ZQJKLCFRXAMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-6-15-13-10(2)14(17-9-16-13)18-11(3)12-5-7-19-8-12/h5,7-9,11H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80825152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).