6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H13Cl2N5 — CID 3107863

IUPAC6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-7-15-11-17-10(14)18-12(19-11)16-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyBSPRCSZWHCSQRT-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.74
Rot. Bonds5

About 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 3107863) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID3107863
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-7-15-11-17-10(14)18-12(19-11)16-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyBSPRCSZWHCSQRT-UHFFFAOYSA-N
XLogP3.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 3107863) is 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BSPRCSZWHCSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-2-7-15-11-17-10(14)18-12(19-11)16-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 298.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-chlorophenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3107863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).