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

C16H24N4S — CID 80805122

IUPAC6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccsc2)c1CCC
InChIInChI=1S/C16H24N4S/c1-4-6-14-15(17-8-5-2)18-11-19-16(14)20-12(3)13-7-9-21-10-13/h7,9-12H,4-6,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyNRDDGBHPTSKQBQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.49
Rot. Bonds8

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

6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80805122) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80805122
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccsc2)c1CCC
InChIInChI=1S/C16H24N4S/c1-4-6-14-15(17-8-5-2)18-11-19-16(14)20-12(3)13-7-9-21-10-13/h7,9-12H,4-6,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyNRDDGBHPTSKQBQ-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-5-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825050
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
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
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
6-N-ethyl-5-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845106
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80805122) is 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2ccsc2)c1CCC.
What is the InChIKey of 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is NRDDGBHPTSKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-6-14-15(17-8-5-2)18-11-19-16(14)20-12(3)13-7-9-21-10-13/h7,9-12H,4-6,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80805122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).