6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C7H10ClN5 — CID 54353580

IUPAC6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C7H10ClN5/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H2,9,10,11,12,13)
InChIKeyUHNCVHQILABHQT-UHFFFAOYSA-N
MW199.65 g/mol
LogP1.16
Rot. Bonds4

About 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 54353580) has the molecular formula C7H10ClN5 and a molecular weight of 199.65 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID54353580
Molecular FormulaC7H10ClN5
Molecular Weight199.65 g/mol
Exact Mass199.06
IUPAC Name6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C7H10ClN5/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H2,9,10,11,12,13)
InChIKeyUHNCVHQILABHQT-UHFFFAOYSA-N
XLogP1.16
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 51.16
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-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 54353580) is 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NC)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UHNCVHQILABHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5/c1-3-4-10-7-12-5(8)11-6(9-2)13-7/h3H,1,4H2,2H3,(H2,9,10,11,12,13).
What are the key properties of 6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 199.65 g/mol, XLogP of 1.16, 4 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-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54353580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).