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

C12H18N6O — CID 106282926

IUPAC4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C12H18N6O/c1-4-5-19-10-6-8(2)15-12(17-10)16-9(3)11-13-7-14-18-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,18)(H,15,16,17)
InChIKeyXLKPJVWAXRREHG-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.87
Rot. Bonds6

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

4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 106282926) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID106282926
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C12H18N6O/c1-4-5-19-10-6-8(2)15-12(17-10)16-9(3)11-13-7-14-18-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,18)(H,15,16,17)
InChIKeyXLKPJVWAXRREHG-UHFFFAOYSA-N
XLogP1.87
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
6-ethoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282952
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine (CID 106282926) is 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine is CCCOc1cc(C)nc(NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is XLKPJVWAXRREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-19-10-6-8(2)15-12(17-10)16-9(3)11-13-7-14-18-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,18)(H,15,16,17).
What are the key properties of 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine?
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 106282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).