2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

C11H14ClN5 — CID 732270

IUPAC2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCC1(C)N=C(N)NC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H4,13,14,15,16,17)
InChIKeyNFAPARBFVDLKOR-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.76
Rot. Bonds1

About 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 732270) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID732270
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCC1(C)N=C(N)NC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H4,13,14,15,16,17)
InChIKeyNFAPARBFVDLKOR-UHFFFAOYSA-N
XLogP1.76
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 732270) is 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is CC1(C)N=C(N)NC(Nc2ccccc2Cl)=N1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is NFAPARBFVDLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 251.72 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 732270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).