N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

C16H27N3S2 — CID 115388674

IUPACN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(C2SCCSC2CC)n1
InChIInChI=1S/C16H27N3S2/c1-5-13-15(21-8-7-20-13)16-18-12(9-11(3)4)10-14(19-16)17-6-2/h10-11,13,15H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyFQUJFJNBOYZSGM-UHFFFAOYSA-N
MW325.55 g/mol
LogP4.41
Rot. Bonds6

About N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 115388674) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID115388674
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC NameN-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1cc(CC(C)C)nc(C2SCCSC2CC)n1
InChIInChI=1S/C16H27N3S2/c1-5-13-15(21-8-7-20-13)16-18-12(9-11(3)4)10-14(19-16)17-6-2/h10-11,13,15H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyFQUJFJNBOYZSGM-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 115388534
[2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-yl]methanamine
CID 113299858
4-chloro-2-(3-methyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidine
CID 115385600
4-chloro-2-(3-ethyl-1,4-dithian-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115385602
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 115388779
5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
4,6-dichloro-2-(3-ethyl-1,4-dithian-2-yl)-5-propan-2-ylpyrimidine
CID 115385569
2-[2-(3-ethyl-1,4-dithian-2-yl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115388859
4-tert-butyl-6-chloro-2-(3-ethyl-1,4-dithian-2-yl)pyrimidine
CID 113299211
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107504381
2-[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-4-yl]ethanamine
CID 115388842
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 115388808

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 115388674) is N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1cc(CC(C)C)nc(C2SCCSC2CC)n1.
What is the InChIKey of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is FQUJFJNBOYZSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-5-13-15(21-8-7-20-13)16-18-12(9-11(3)4)10-14(19-16)17-6-2/h10-11,13,15H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 325.55 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115388674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).