5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine

C13H20N6 — CID 72856128

IUPAC5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1cnn(CC)c1
InChIInChI=1S/C13H20N6/c1-4-11-9(3)17-13(14)18-12(11)15-6-10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18)
InChIKeyIZVIATCANFOUAD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.76
Rot. Bonds5

About 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine

5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72856128) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72856128
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1cnn(CC)c1
InChIInChI=1S/C13H20N6/c1-4-11-9(3)17-13(14)18-12(11)15-6-10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18)
InChIKeyIZVIATCANFOUAD-UHFFFAOYSA-N
XLogP1.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine (CID 72856128) is 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCc1cnn(CC)c1.
What is the InChIKey of 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is IZVIATCANFOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-9(3)17-13(14)18-12(11)15-6-10-7-16-19(5-2)8-10/h7-8H,4-6H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(1-ethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72856128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).