5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

C11H10Cl2N4 — CID 24466

IUPAC5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyVQJHOPSWBGJHQS-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.92
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine

5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 24466) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID24466
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyVQJHOPSWBGJHQS-UHFFFAOYSA-N
XLogP2.92
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 24466) is 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is VQJHOPSWBGJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17).
What are the key properties of 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine?
5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 269.14 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 24466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).