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

C13H13Cl2N5O — CID 3152649

IUPAC6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H13Cl2N5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-9-7-8(14)4-5-10(9)21-2/h3-5,7H,1,6H2,2H3,(H2,16,17,18,19,20)
InChIKeyHLNBMOPKDMBZTR-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.53
Rot. Bonds6

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

6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3152649) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3152649
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H13Cl2N5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-9-7-8(14)4-5-10(9)21-2/h3-5,7H,1,6H2,2H3,(H2,16,17,18,19,20)
InChIKeyHLNBMOPKDMBZTR-UHFFFAOYSA-N
XLogP3.53
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
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CID 80926064
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
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6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
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N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3152649) is 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HLNBMOPKDMBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-9-7-8(14)4-5-10(9)21-2/h3-5,7H,1,6H2,2H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 326.19 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3152649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).