6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C10H14ClN5 — CID 15729053

IUPAC6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCC(=C)C)n1
InChIInChI=1S/C10H14ClN5/c1-4-5-12-9-14-8(11)15-10(16-9)13-6-7(2)3/h4H,1-2,5-6H2,3H3,(H2,12,13,14,15,16)
InChIKeyRKLHLRHKASAWRJ-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.11
Rot. Bonds6

About 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 15729053) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID15729053
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCC(=C)C)n1
InChIInChI=1S/C10H14ClN5/c1-4-5-12-9-14-8(11)15-10(16-9)13-6-7(2)3/h4H,1-2,5-6H2,3H3,(H2,12,13,14,15,16)
InChIKeyRKLHLRHKASAWRJ-UHFFFAOYSA-N
XLogP2.11
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 15729053) is 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NCC(=C)C)n1.
What is the InChIKey of 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RKLHLRHKASAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-4-5-12-9-14-8(11)15-10(16-9)13-6-7(2)3/h4H,1-2,5-6H2,3H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.71 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15729053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).