6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine

C10H14ClN5 — CID 123599189

IUPAC6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine
SMILESC=CC=C(C)CNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C10H14ClN5/c1-4-5-7(2)6-13-10-15-8(11)14-9(12-3)16-10/h4-5H,1,6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeyDQRRXHUQHWFIMN-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.11
Rot. Bonds5

About 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine (PubChem CID 123599189) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine
PubChem CID123599189
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine
SMILESC=CC=C(C)CNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C10H14ClN5/c1-4-5-7(2)6-13-10-15-8(11)14-9(12-3)16-10/h4-5H,1,6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeyDQRRXHUQHWFIMN-UHFFFAOYSA-N
XLogP2.11
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine (CID 123599189) is 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine is C=CC=C(C)CNc1nc(Cl)nc(NC)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DQRRXHUQHWFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-4-5-7(2)6-13-10-15-8(11)14-9(12-3)16-10/h4-5H,1,6H2,2-3H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.71 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(2-methylpenta-2,4-dienyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123599189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).