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

C10H14N6S — CID 80937261

IUPAC2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H14N6S/c1-4-7-13-8(11-3)5-9(14-7)17-10-12-6(2)15-16-10/h5H,4H2,1-3H3,(H,11,13,14)(H,12,15,16)
InChIKeyUYJZEDHWAVZCIW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.66
Rot. Bonds4

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

2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80937261) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80937261
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H14N6S/c1-4-7-13-8(11-3)5-9(14-7)17-10-12-6(2)15-16-10/h5H,4H2,1-3H3,(H,11,13,14)(H,12,15,16)
InChIKeyUYJZEDHWAVZCIW-UHFFFAOYSA-N
XLogP1.66
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (CID 80937261) is 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is CCc1nc(NC)cc(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is UYJZEDHWAVZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-4-7-13-8(11-3)5-9(14-7)17-10-12-6(2)15-16-10/h5H,4H2,1-3H3,(H,11,13,14)(H,12,15,16).
What are the key properties of 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80937261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).