6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

C11H13N3S2 — CID 106972720

IUPAC6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCSc1cc(NCCc2ccsc2)ncn1
InChIInChI=1S/C11H13N3S2/c1-15-11-6-10(13-8-14-11)12-4-2-9-3-5-16-7-9/h3,5-8H,2,4H2,1H3,(H,12,13,14)
InChIKeyHVHXEEAGCVMWPL-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.91
Rot. Bonds5

About 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 106972720) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID106972720
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCSc1cc(NCCc2ccsc2)ncn1
InChIInChI=1S/C11H13N3S2/c1-15-11-6-10(13-8-14-11)12-4-2-9-3-5-16-7-9/h3,5-8H,2,4H2,1H3,(H,12,13,14)
InChIKeyHVHXEEAGCVMWPL-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
6-methylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 106430433
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359997
2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80961771

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (CID 106972720) is 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is CSc1cc(NCCc2ccsc2)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is HVHXEEAGCVMWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-15-11-6-10(13-8-14-11)12-4-2-9-3-5-16-7-9/h3,5-8H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106972720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).