6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine

C7H12ClN5O2 — CID 122714726

IUPAC6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOC(CNc1nc(N)nc(Cl)n1)OC
InChIInChI=1S/C7H12ClN5O2/c1-14-4(15-2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyUZNHMZURVJNIPU-UHFFFAOYSA-N
MW233.66 g/mol
LogP0.14
Rot. Bonds5

About 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 122714726) has the molecular formula C7H12ClN5O2 and a molecular weight of 233.66 g/mol. Its IUPAC name is 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID122714726
Molecular FormulaC7H12ClN5O2
Molecular Weight233.66 g/mol
Exact Mass233.07
IUPAC Name6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOC(CNc1nc(N)nc(Cl)n1)OC
InChIInChI=1S/C7H12ClN5O2/c1-14-4(15-2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyUZNHMZURVJNIPU-UHFFFAOYSA-N
XLogP0.14
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106197149
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178882
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine (CID 122714726) is 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine is COC(CNc1nc(N)nc(Cl)n1)OC.
What is the InChIKey of 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UZNHMZURVJNIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5O2/c1-14-4(15-2)3-10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 233.66 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 122714726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).