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

C16H27N3S2 — CID 103346626

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1C
InChIInChI=1S/C16H27N3S2/c1-6-8-17-15-10(3)13(7-2)18-16(19-15)14-9-20-11(4)12(5)21-14/h11-12,14H,6-9H2,1-5H3,(H,17,18,19)
InChIKeySXCJWTCQINHVCP-UHFFFAOYSA-N
MW325.55 g/mol
LogP4.47
Rot. Bonds5

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

2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 103346626) 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)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
PubChem CID103346626
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1C
InChIInChI=1S/C16H27N3S2/c1-6-8-17-15-10(3)13(7-2)18-16(19-15)14-9-20-11(4)12(5)21-14/h11-12,14H,6-9H2,1-5H3,(H,17,18,19)
InChIKeySXCJWTCQINHVCP-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 103346672
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,6-diethylpyrimidin-4-amine
CID 103346600
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631
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)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103346666
6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
3-[2-(5,6-dimethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 103346829
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 103346682

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine (CID 103346626) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1C.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SXCJWTCQINHVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-6-8-17-15-10(3)13(7-2)18-16(19-15)14-9-20-11(4)12(5)21-14/h11-12,14H,6-9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 325.55 g/mol, XLogP of 4.47, 5 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)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103346626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).