4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

C13H12Cl2N4 — CID 73389731

IUPAC4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
InChIKeyPNMYJIOQIAEYQL-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.61
Rot. Bonds3

About 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine (PubChem CID 73389731) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
PubChem CID73389731
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
InChIKeyPNMYJIOQIAEYQL-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine (CID 73389731) is 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is PNMYJIOQIAEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 295.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 73389731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).