N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine

C14H21N5S2 — CID 80995179

IUPACN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2nc(CC)ns2)n1
InChIInChI=1S/C14H21N5S2/c1-5-8-11-16-12(15-7-3)9(4)13(17-11)20-14-18-10(6-2)19-21-14/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyJKZLMUOQYAWEBI-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine

N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80995179) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80995179
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2nc(CC)ns2)n1
InChIInChI=1S/C14H21N5S2/c1-5-8-11-16-12(15-7-3)9(4)13(17-11)20-14-18-10(6-2)19-21-14/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyJKZLMUOQYAWEBI-UHFFFAOYSA-N
XLogP3.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80994486
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 80994586
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine (CID 80995179) is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(Sc2nc(CC)ns2)n1.
What is the InChIKey of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is JKZLMUOQYAWEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-5-8-11-16-12(15-7-3)9(4)13(17-11)20-14-18-10(6-2)19-21-14/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine?
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 323.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).