4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine

C11H14N4S2 — CID 80887611

IUPAC4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Sc2cccs2)nc(N)n1
InChIInChI=1S/C11H14N4S2/c1-2-5-13-8-7-9(15-11(12)14-8)17-10-4-3-6-16-10/h3-4,6-7H,2,5H2,1H3,(H3,12,13,14,15)
InChIKeyMBBDCPRFFAEQLH-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.09
Rot. Bonds5

About 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine

4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine (PubChem CID 80887611) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
PubChem CID80887611
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
SMILESCCCNc1cc(Sc2cccs2)nc(N)n1
InChIInChI=1S/C11H14N4S2/c1-2-5-13-8-7-9(15-11(12)14-8)17-10-4-3-6-16-10/h3-4,6-7H,2,5H2,1H3,(H3,12,13,14,15)
InChIKeyMBBDCPRFFAEQLH-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80886717
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80890105
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80963401
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 113479527

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine (CID 80887611) is 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine is CCCNc1cc(Sc2cccs2)nc(N)n1.
What is the InChIKey of 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine?
The InChIKey is MBBDCPRFFAEQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-2-5-13-8-7-9(15-11(12)14-8)17-10-4-3-6-16-10/h3-4,6-7H,2,5H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine?
4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 80887611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).