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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Related Compounds

5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065368
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064329
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-N-(1,1-dioxothian-4-yl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80789952
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
5-nitro-6-N-propyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065276
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
6-N,5-diethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80848453
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
CID 103062457
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631

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).