2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid

C11H8Cl2N4O2 — CID 19705121

IUPAC2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(N)c(-c2ccc(Cl)cc2Cl)c(C(=O)O)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-4-1-2-5(6(13)3-4)7-8(10(18)19)16-11(15)17-9(7)14/h1-3H,(H,18,19)(H4,14,15,16,17)
InChIKeyMNOBDMMILVOEAU-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.31
Rot. Bonds2

About 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid

2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 19705121) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
PubChem CID19705121
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(N)c(-c2ccc(Cl)cc2Cl)c(C(=O)O)n1
InChIInChI=1S/C11H8Cl2N4O2/c12-4-1-2-5(6(13)3-4)7-8(10(18)19)16-11(15)17-9(7)14/h1-3H,(H,18,19)(H4,14,15,16,17)
InChIKeyMNOBDMMILVOEAU-UHFFFAOYSA-N
XLogP2.31
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid (CID 19705121) is 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid is Nc1nc(N)c(-c2ccc(Cl)cc2Cl)c(C(=O)O)n1.
What is the InChIKey of 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is MNOBDMMILVOEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-4-1-2-5(6(13)3-4)7-8(10(18)19)16-11(15)17-9(7)14/h1-3H,(H,18,19)(H4,14,15,16,17).
What are the key properties of 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 299.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 19705121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).