2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine

C14H23N3S2 — CID 103346600

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C14H23N3S2/c1-5-11-7-13(15-6-2)17-14(16-11)12-8-18-9(3)10(4)19-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyQSTHVOWPCNNFFS-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.77
Rot. Bonds4

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine

2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine (PubChem CID 103346600) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
PubChem CID103346600
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(C2CSC(C)C(C)S2)n1
InChIInChI=1S/C14H23N3S2/c1-5-11-7-13(15-6-2)17-14(16-11)12-8-18-9(3)10(4)19-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyQSTHVOWPCNNFFS-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 103346617
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234
2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79966267
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
4-(chloromethyl)-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
CID 103346814
2-(1,4-dithian-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79966167
1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 103346522
1-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103346956
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 103346672

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine (CID 103346600) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(C2CSC(C)C(C)S2)n1.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is QSTHVOWPCNNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-5-11-7-13(15-6-2)17-14(16-11)12-8-18-9(3)10(4)19-12/h7,9-10,12H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 297.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 103346600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).