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

C14H18ClN5O — CID 107855546

IUPAC6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyHZPLARQBZLMOFW-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.62
Rot. Bonds7

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

6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 107855546) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID107855546
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyHZPLARQBZLMOFW-UHFFFAOYSA-N
XLogP2.62
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932545
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
1-methoxy-3-propylbenzene
CID 14270128
4-N-tert-butyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 107855546) is 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCc2cccc(OC)c2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HZPLARQBZLMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).