N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine

C14H23N3S2 — CID 115388492

IUPACN,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2SCCSC2C)nc(C)c1CC
InChIInChI=1S/C14H23N3S2/c1-5-11-9(3)16-14(17-13(11)15-6-2)12-10(4)18-7-8-19-12/h10,12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeySZZPRDSCZCJJRF-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.69
Rot. Bonds4

About N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine

N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine (PubChem CID 115388492) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
PubChem CID115388492
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC NameN,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2SCCSC2C)nc(C)c1CC
InChIInChI=1S/C14H23N3S2/c1-5-11-9(3)16-14(17-13(11)15-6-2)12-10(4)18-7-8-19-12/h10,12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeySZZPRDSCZCJJRF-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,6-diethyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388607
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388640
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65390273
5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
N,5-diethyl-6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402188
2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115388521
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
2-(3-ethyl-1,4-dithian-2-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 115388526
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115384970
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388664
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine (CID 115388492) is N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine is CCNc1nc(C2SCCSC2C)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
The InChIKey is SZZPRDSCZCJJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-5-11-9(3)16-14(17-13(11)15-6-2)12-10(4)18-7-8-19-12/h10,12H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine?
N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine has a molecular weight of 297.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 115388492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).