4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid

C13H11Cl2N3O2 — CID 116647394

IUPAC4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1C(=O)O
InChIInChI=1S/C13H11Cl2N3O2/c1-6-11(13(19)20)12(16)18-10(17-6)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyQKGPHCLTPZSKDY-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.96
Rot. Bonds3

About 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid

4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid (PubChem CID 116647394) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
PubChem CID116647394
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1C(=O)O
InChIInChI=1S/C13H11Cl2N3O2/c1-6-11(13(19)20)12(16)18-10(17-6)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyQKGPHCLTPZSKDY-UHFFFAOYSA-N
XLogP2.96
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66307695
4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640812
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
methyl 4-amino-2-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxylate
CID 116646746
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 43169288
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
CID 142395203
2-[(2,4-dichlorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740211
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346765
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid (CID 116647394) is 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid is Cc1nc(Cc2ccc(Cl)cc2Cl)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is QKGPHCLTPZSKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-6-11(13(19)20)12(16)18-10(17-6)4-7-2-3-8(14)5-9(7)15/h2-3,5H,4H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 312.16 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).