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

C10H11F3N6S — CID 106775301

IUPACN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncnn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-3-14-6-4-7(18-8(17-6)10(11,12)13)20-9-15-5-16-19(9)2/h4-5H,3H2,1-2H3,(H,14,17,18)
InChIKeyMCBIPABQWPMWBP-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.21
Rot. Bonds4

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

N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775301) has the molecular formula C10H11F3N6S and a molecular weight of 304.30 g/mol. Its IUPAC name is N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775301
Molecular FormulaC10H11F3N6S
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC NameN-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncnn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-3-14-6-4-7(18-8(17-6)10(11,12)13)20-9-15-5-16-19(9)2/h4-5H,3H2,1-2H3,(H,14,17,18)
InChIKeyMCBIPABQWPMWBP-UHFFFAOYSA-N
XLogP2.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775300
2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605005
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774909
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104605019
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774883
N-ethyl-6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775212
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775301) is N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Sc2ncnn2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MCBIPABQWPMWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S/c1-3-14-6-4-7(18-8(17-6)10(11,12)13)20-9-15-5-16-19(9)2/h4-5H,3H2,1-2H3,(H,14,17,18).
What are the key properties of N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).