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

C12H18N6O — CID 72938124

IUPAC5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine
SMILESCCc1cnc(NCc2nncn2CCOC)nc1
InChIInChI=1S/C12H18N6O/c1-3-10-6-13-12(14-7-10)15-8-11-17-16-9-18(11)4-5-19-2/h6-7,9H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyGRLUUEQCBMBJLN-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.89
Rot. Bonds7

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

5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine (PubChem CID 72938124) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine
PubChem CID72938124
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine
SMILESCCc1cnc(NCc2nncn2CCOC)nc1
InChIInChI=1S/C12H18N6O/c1-3-10-6-13-12(14-7-10)15-8-11-17-16-9-18(11)4-5-19-2/h6-7,9H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeyGRLUUEQCBMBJLN-UHFFFAOYSA-N
XLogP0.89
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine (CID 72938124) is 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine is CCc1cnc(NCc2nncn2CCOC)nc1.
What is the InChIKey of 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is GRLUUEQCBMBJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-10-6-13-12(14-7-10)15-8-11-17-16-9-18(11)4-5-19-2/h6-7,9H,3-5,8H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine?
5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72938124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).