2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile

C11H7Cl2N5 — CID 166933390

IUPAC2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(9(6)13)8-7(4-14)17-11(16)18-10(8)15/h1-3H,(H4,15,16,17,18)
InChIKeyGAJZYIBHAUOPCU-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.49
Rot. Bonds1

About 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile

2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile (PubChem CID 166933390) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
PubChem CID166933390
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(9(6)13)8-7(4-14)17-11(16)18-10(8)15/h1-3H,(H4,15,16,17,18)
InChIKeyGAJZYIBHAUOPCU-UHFFFAOYSA-N
XLogP2.49
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile (CID 166933390) is 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile is N#Cc1nc(N)nc(N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The InChIKey is GAJZYIBHAUOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(9(6)13)8-7(4-14)17-11(16)18-10(8)15/h1-3H,(H4,15,16,17,18).
What are the key properties of 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile has a molecular weight of 280.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 166933390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).