5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

C12H12Cl2N4 — CID 3779331

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C12H12Cl2N4/c1-6-17-11(15)9(12(16)18-6)4-7-2-3-8(13)5-10(7)14/h2-3,5H,4H2,1H3,(H4,15,16,17,18)
InChIKeySUHUPCSFUAVJMJ-UHFFFAOYSA-N
MW283.16 g/mol
LogP2.85
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 3779331) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID3779331
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
InChIInChI=1S/C12H12Cl2N4/c1-6-17-11(15)9(12(16)18-6)4-7-2-3-8(13)5-10(7)14/h2-3,5H,4H2,1H3,(H4,15,16,17,18)
InChIKeySUHUPCSFUAVJMJ-UHFFFAOYSA-N
XLogP2.85
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-fluorophenyl)pyrimidin-4-amine
CID 10126186
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-fluorophenyl)pyrimidin-4-amine
CID 10286977
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methylphenyl)pyrimidin-4-amine
CID 10172376

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 3779331) is 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is SUHUPCSFUAVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-6-17-11(15)9(12(16)18-6)4-7-2-3-8(13)5-10(7)14/h2-3,5H,4H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 3779331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).