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

C13H13Cl3N4 — CID 91826507

IUPAC4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N4.ClH/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);1H
InChIKeyFBHMEHNWFXCSKE-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.03
Rot. Bonds3

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

4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 91826507) has the molecular formula C13H13Cl3N4 and a molecular weight of 331.63 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
PubChem CID91826507
Molecular FormulaC13H13Cl3N4
Molecular Weight331.63 g/mol
Exact Mass330.02
IUPAC Name4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N4.ClH/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);1H
InChIKeyFBHMEHNWFXCSKE-UHFFFAOYSA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.03
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;hydrochloride?
The IUPAC name of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride (CID 91826507) is 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride is Cl.Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is FBHMEHNWFXCSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4.ClH/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);1H.
What are the key properties of 4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride?
4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 331.63 g/mol, XLogP of 4.03, 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;hydrochloride is sourced from PubChem (CID 91826507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).