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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Related Compounds

2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 66503231
6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 69084480
(3R)-1,3-dimethyl-6-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]-4-propan-2-yl-3H-quinoxalin-2-one
CID 163805975
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169
N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46987942
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
4-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 66503193
4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 66503038

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).