6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C14H20N6 — CID 79739595

IUPAC6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Cc2nc(NC)nc(N(C)C)n2)nc1
InChIInChI=1S/C14H20N6/c1-5-10-6-7-11(16-9-10)8-12-17-13(15-2)19-14(18-12)20(3)4/h6-7,9H,5,8H2,1-4H3,(H,15,17,18,19)
InChIKeyPCCDEXIOPBQYAF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.53
Rot. Bonds5

About 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 79739595) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID79739595
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Cc2nc(NC)nc(N(C)C)n2)nc1
InChIInChI=1S/C14H20N6/c1-5-10-6-7-11(16-9-10)8-12-17-13(15-2)19-14(18-12)20(3)4/h6-7,9H,5,8H2,1-4H3,(H,15,17,18,19)
InChIKeyPCCDEXIOPBQYAF-UHFFFAOYSA-N
XLogP1.53
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 79739595) is 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CCc1ccc(Cc2nc(NC)nc(N(C)C)n2)nc1.
What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PCCDEXIOPBQYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-10-6-7-11(16-9-10)8-12-17-13(15-2)19-14(18-12)20(3)4/h6-7,9H,5,8H2,1-4H3,(H,15,17,18,19).
What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-2-pyridinyl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79739595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).