6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine

C11H10Cl2N4 — CID 73441664

IUPAC6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyURWCXPXBBITYLR-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.07
Rot. Bonds2

About 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine

6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 73441664) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID73441664
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyURWCXPXBBITYLR-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine (CID 73441664) is 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is URWCXPXBBITYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 269.14 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 73441664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).