6-(chloromethyl)-1,3,5-triazine-2,4-diamine

C4H6ClN5 — CID 25406

IUPAC6-(chloromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCl)n1
InChIInChI=1S/C4H6ClN5/c5-1-2-8-3(6)10-4(7)9-2/h1H2,(H4,6,7,8,9,10)
InChIKeyPEHJTVMOGGJPJM-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.23
Rot. Bonds1

About 6-(chloromethyl)-1,3,5-triazine-2,4-diamine

6-(chloromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 25406) has the molecular formula C4H6ClN5 and a molecular weight of 159.58 g/mol. Its IUPAC name is 6-(chloromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(chloromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID25406
Molecular FormulaC4H6ClN5
Molecular Weight159.58 g/mol
Exact Mass159.03
IUPAC Name6-(chloromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCl)n1
InChIInChI=1S/C4H6ClN5/c5-1-2-8-3(6)10-4(7)9-2/h1H2,(H4,6,7,8,9,10)
InChIKeyPEHJTVMOGGJPJM-UHFFFAOYSA-N
XLogP-0.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetoguanamine
CID 10949
4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 30529
1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-methoxy-
CID 120588
6-(chloromethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 389996
1,3,5-Triazine-2,4-diamine, 6-(trichloromethyl)-
CID 27676
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
2,4,6-Tris(chloromethyl)-1,3,5-triazine
CID 778089
6-(1-chloroethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 16227072
2,4-Bis(dichloromethyl)-6-methyl-1,3,5-triazine
CID 21384
4-Chloro-6-(fluoromethyl)-1,3,5-triazin-2-amine
CID 71758383
6-(2-Chloroethyl)-1,3,5-triazine-2,4-diamine
CID 35055
2-(Dichloromethyl)-4,6-dimethyl-1,3,5-triazine
CID 86176520

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(chloromethyl)-1,3,5-triazine-2,4-diamine (CID 25406) is 6-(chloromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(chloromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(chloromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PEHJTVMOGGJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5/c5-1-2-8-3(6)10-4(7)9-2/h1H2,(H4,6,7,8,9,10).
What are the key properties of 6-(chloromethyl)-1,3,5-triazine-2,4-diamine?
6-(chloromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 159.58 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).