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

C12H14ClN5O2 — CID 107623632

IUPAC2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyYBYMCPADUSKLRM-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.26
Rot. Bonds5

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

2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 107623632) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID107623632
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyYBYMCPADUSKLRM-UHFFFAOYSA-N
XLogP2.26
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 82862288
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 107623632) is 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YBYMCPADUSKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-20-12-17-10(14)16-11(18-12)15-7-4-5-8(13)9(6-7)19-2/h4-6H,3H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.73 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107623632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).