N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine

C20H15Cl2N5 — CID 66502909

IUPACN-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H15Cl2N5/c1-13-16(12-27(26-13)15-5-3-2-4-6-15)18-9-10-23-20(24-18)25-19-8-7-14(21)11-17(19)22/h2-12H,1H3,(H,23,24,25)
InChIKeySSWATSPZFZINEZ-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.69
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine

N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 66502909) has the molecular formula C20H15Cl2N5 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID66502909
Molecular FormulaC20H15Cl2N5
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC NameN-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H15Cl2N5/c1-13-16(12-27(26-13)15-5-3-2-4-6-15)18-9-10-23-20(24-18)25-19-8-7-14(21)11-17(19)22/h2-12H,1H3,(H,23,24,25)
InChIKeySSWATSPZFZINEZ-UHFFFAOYSA-N
XLogP5.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine (CID 66502909) is N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is SSWATSPZFZINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5/c1-13-16(12-27(26-13)15-5-3-2-4-6-15)18-9-10-23-20(24-18)25-19-8-7-14(21)11-17(19)22/h2-12H,1H3,(H,23,24,25).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 396.28 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 66502909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).