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

C14H18ClN5O — CID 62868330

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-10-7-6-8-11(9-10)21-3/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyZKNMHAWJLAZKNZ-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.12
Rot. Bonds6

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

6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62868330) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID62868330
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-10-7-6-8-11(9-10)21-3/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyZKNMHAWJLAZKNZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-N,6-N-diethyl-4-N-(3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 73345920
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 66255962
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 115505193
6-chloro-2-N-ethyl-2-N-methyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 53418706
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 158298723
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80817157
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
(NZ)-N-[2-[[4-chloro-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]amino]-1-phenylethylidene]hydroxylamine
CID 11740767

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 62868330) is 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZKNMHAWJLAZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-12(15)17-13(19-14)16-10-7-6-8-11(9-10)21-3/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62868330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).