5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine

C12H12Cl2N4O — CID 19705129

IUPAC5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine
SMILESCOCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-19-5-9-10(11(15)18-12(16)17-9)6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H4,15,16,17,18)
InChIKeyFUBRFBIDIQZTBN-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.76
Rot. Bonds3

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

5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine (PubChem CID 19705129) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine
PubChem CID19705129
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine
SMILESCOCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-19-5-9-10(11(15)18-12(16)17-9)6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H4,15,16,17,18)
InChIKeyFUBRFBIDIQZTBN-UHFFFAOYSA-N
XLogP2.76
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Metoprine
CID 24466
Etoprine
CID 29142
Benzyl 3-(2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propyl carbonate
CID 10476801
N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
5-[(3,4-Dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine
CID 516690
5-[(3,4-Dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44523058
1-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethanol
CID 323915
5-(4-Chlorophenyl)-6-(1,1-dimethoxyethyl)pyrimidine-2,4-diamine
CID 68137178
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
5-(4-Chlorophenyl)-6-(1,1-diethoxyethyl)pyrimidine-2,4-diamine
CID 90677855
2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-(phenoxymethyl)-
CID 420609

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine (CID 19705129) is 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine is COCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine?
The InChIKey is FUBRFBIDIQZTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-19-5-9-10(11(15)18-12(16)17-9)6-2-3-7(13)8(14)4-6/h2-4H,5H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine?
5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine has a molecular weight of 299.16 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 19705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).