4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine

C11H11Cl2N5 — CID 80759587

IUPAC4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H11Cl2N5/c1-15-9-5-10(18-11(14)17-9)16-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H4,14,15,16,17,18)
InChIKeyPFUCVOWAPWSXJL-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.15
Rot. Bonds3

About 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80759587) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80759587
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H11Cl2N5/c1-15-9-5-10(18-11(14)17-9)16-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H4,14,15,16,17,18)
InChIKeyPFUCVOWAPWSXJL-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 80759587) is 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(Cl)cc2Cl)nc(N)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is PFUCVOWAPWSXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-15-9-5-10(18-11(14)17-9)16-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 284.15 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80759587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).