6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine

C10H18ClN5O — CID 80819787

IUPAC6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCOCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H18ClN5O/c1-7(2)3-5-17-6-4-13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyBYGUUSJSBWKSPL-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.58
Rot. Bonds7

About 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80819787) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80819787
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCOCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C10H18ClN5O/c1-7(2)3-5-17-6-4-13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyBYGUUSJSBWKSPL-UHFFFAOYSA-N
XLogP1.58
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80792543
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 142808201
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80819787) is 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine is CC(C)CCOCCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BYGUUSJSBWKSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-7(2)3-5-17-6-4-13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).