4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile

C17H10Cl2N4 — CID 15528298

IUPAC4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,(H2,21,22,23)
InChIKeyBKLTZUCRTFNTFM-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.57
Rot. Bonds2

About 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile

4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile (PubChem CID 15528298) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
PubChem CID15528298
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,(H2,21,22,23)
InChIKeyBKLTZUCRTFNTFM-UHFFFAOYSA-N
XLogP4.57
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile (CID 15528298) is 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile is N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is BKLTZUCRTFNTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-11-6-7-12(14(19)8-11)15-13(9-20)16(21)23-17(22-15)10-4-2-1-3-5-10/h1-8H,(H2,21,22,23).
What are the key properties of 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile?
4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 341.20 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 15528298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).