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

C12H14ClN5 — CID 80807407

IUPAC6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-5-8-6-3-4-7-9(8)15-12-17-10(13)16-11(14)18-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,18)
InChIKeyNSFCBEDVBXYGBS-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.80
Rot. Bonds4

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

6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80807407) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID80807407
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCc1ccccc1Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-2-5-8-6-3-4-7-9(8)15-12-17-10(13)16-11(14)18-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,18)
InChIKeyNSFCBEDVBXYGBS-UHFFFAOYSA-N
XLogP2.80
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.80
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-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine (CID 80807407) is 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine is CCCc1ccccc1Nc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NSFCBEDVBXYGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-2-5-8-6-3-4-7-9(8)15-12-17-10(13)16-11(14)18-12/h3-4,6-7H,2,5H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80807407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).