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

C13H20N6S — CID 104604999

IUPACN-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2ncnn2C)n1
InChIInChI=1S/C13H20N6S/c1-5-7-10-17-11(14-6-2)9(3)12(18-10)20-13-15-8-16-19(13)4/h8H,5-7H2,1-4H3,(H,14,17,18)
InChIKeyMXGXIIAWUJQRBB-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.45
Rot. Bonds6

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

N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine (PubChem CID 104604999) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
PubChem CID104604999
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC NameN-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2ncnn2C)n1
InChIInChI=1S/C13H20N6S/c1-5-7-10-17-11(14-6-2)9(3)12(18-10)20-13-15-8-16-19(13)4/h8H,5-7H2,1-4H3,(H,14,17,18)
InChIKeyMXGXIIAWUJQRBB-UHFFFAOYSA-N
XLogP2.45
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104604881
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-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80994486
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001759
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine (CID 104604999) is N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(Sc2ncnn2C)n1.
What is the InChIKey of N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The InChIKey is MXGXIIAWUJQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-5-7-10-17-11(14-6-2)9(3)12(18-10)20-13-15-8-16-19(13)4/h8H,5-7H2,1-4H3,(H,14,17,18).
What are the key properties of N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine?
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 104604999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).