N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine

C22H21N5 — CID 31536512

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C22H21N5/c1-16-13-17(2)25-22(24-16)23-14-19-15-27(20-11-7-4-8-12-20)26-21(19)18-9-5-3-6-10-18/h3-13,15H,14H2,1-2H3,(H,23,24,25)
InChIKeyGSZFZEYISOEJMK-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.56
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine

N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 31536512) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID31536512
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C22H21N5/c1-16-13-17(2)25-22(24-16)23-14-19-15-27(20-11-7-4-8-12-20)26-21(19)18-9-5-3-6-10-18/h3-13,15H,14H2,1-2H3,(H,23,24,25)
InChIKeyGSZFZEYISOEJMK-UHFFFAOYSA-N
XLogP4.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264622
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-propan-2-ylthiourea
CID 17381877
3-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464021
4-[4-[(4-methoxyanilino)methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 155808729
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137261742
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine (CID 31536512) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GSZFZEYISOEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-16-13-17(2)25-22(24-16)23-14-19-15-27(20-11-7-4-8-12-20)26-21(19)18-9-5-3-6-10-18/h3-13,15H,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 355.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 31536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).