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

C12H18N6OS — CID 104605005

IUPAC2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncnn2C)nc(COCC)n1
InChIInChI=1S/C12H18N6OS/c1-4-13-9-6-11(17-10(16-9)7-19-5-2)20-12-14-8-15-18(12)3/h6,8H,4-5,7H2,1-3H3,(H,13,16,17)
InChIKeyKUBLQUKAAMYADR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.72
Rot. Bonds7

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

2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 104605005) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
PubChem CID104605005
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2ncnn2C)nc(COCC)n1
InChIInChI=1S/C12H18N6OS/c1-4-13-9-6-11(17-10(16-9)7-19-5-2)20-12-14-8-15-18(12)3/h6,8H,4-5,7H2,1-3H3,(H,13,16,17)
InChIKeyKUBLQUKAAMYADR-UHFFFAOYSA-N
XLogP1.72
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775301
2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 113401999
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775300
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-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928791
2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 113401725
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (CID 104605005) is 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is CCNc1cc(Sc2ncnn2C)nc(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is KUBLQUKAAMYADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-4-13-9-6-11(17-10(16-9)7-19-5-2)20-12-14-8-15-18(12)3/h6,8H,4-5,7H2,1-3H3,(H,13,16,17).
What are the key properties of 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 294.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 104605005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).