2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine

C16H27N3S2 — CID 103346617

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CSC(C)C(C)S2)nc(C)c1C(C)C
InChIInChI=1S/C16H27N3S2/c1-7-17-16-14(9(2)3)10(4)18-15(19-16)13-8-20-11(5)12(6)21-13/h9,11-13H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyXSYAKRIABQXCHM-UHFFFAOYSA-N
MW325.55 g/mol
LogP4.64
Rot. Bonds4

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 103346617) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID103346617
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CSC(C)C(C)S2)nc(C)c1C(C)C
InChIInChI=1S/C16H27N3S2/c1-7-17-16-14(9(2)3)10(4)18-15(19-16)13-8-20-11(5)12(6)21-13/h9,11-13H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyXSYAKRIABQXCHM-UHFFFAOYSA-N
XLogP4.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 54.64
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-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
CID 103346600
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 103346626
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
CID 103344676
N-[[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 103344337
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103346619
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 103346672
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 103346617) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CSC(C)C(C)S2)nc(C)c1C(C)C.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is XSYAKRIABQXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-7-17-16-14(9(2)3)10(4)18-15(19-16)13-8-20-11(5)12(6)21-13/h9,11-13H,7-8H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 325.55 g/mol, XLogP of 4.64, 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-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103346617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).