6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C12H20N4S — CID 103065273

IUPAC6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCSC2)c1CC
InChIInChI=1S/C12H20N4S/c1-3-10-11(13-4-2)14-8-15-12(10)16-9-5-6-17-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyISLFCFNSNKFYSP-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.39
Rot. Bonds5

About 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 103065273) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID103065273
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCSC2)c1CC
InChIInChI=1S/C12H20N4S/c1-3-10-11(13-4-2)14-8-15-12(10)16-9-5-6-17-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyISLFCFNSNKFYSP-UHFFFAOYSA-N
XLogP2.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 103065273) is 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is CCNc1ncnc(NC2CCSC2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is ISLFCFNSNKFYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-10-11(13-4-2)14-8-15-12(10)16-9-5-6-17-7-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 103065273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).