N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine

C22H21N5O — CID 10270559

IUPACN-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-n2nccc2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-12-16(2)14-17(13-15)25-22-23-10-8-20(26-22)21-9-11-24-27(21)18-4-6-19(28-3)7-5-18/h4-14H,1-3H3,(H,23,25,26)
InChIKeyMGYMCFSRZBEBGQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.70
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 10270559) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID10270559
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-n2nccc2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-12-16(2)14-17(13-15)25-22-23-10-8-20(26-22)21-9-11-24-27(21)18-4-6-19(28-3)7-5-18/h4-14H,1-3H3,(H,23,25,26)
InChIKeyMGYMCFSRZBEBGQ-UHFFFAOYSA-N
XLogP4.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid
CID 10291841
N-[3-chloro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(2-phenylpyrazol-3-yl)pyrimidin-2-amine
CID 142210116
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 15653050
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
CID 90030830
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
4-[2-[6-chloro-4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]ethyl]piperazine-1-carboxamide
CID 91304135
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine (CID 10270559) is N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine is COc1ccc(-n2nccc2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is MGYMCFSRZBEBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-12-16(2)14-17(13-15)25-22-23-10-8-20(26-22)21-9-11-24-27(21)18-4-6-19(28-3)7-5-18/h4-14H,1-3H3,(H,23,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[2-(4-methoxyphenyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10270559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).