N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C21H22N6 — CID 95870277

IUPACN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c([C@@H](Nc2ncnc3c2c(C)nn3C)c2cccnc2)c1
InChIInChI=1S/C21H22N6/c1-13-7-8-14(2)17(10-13)19(16-6-5-9-22-11-16)25-20-18-15(3)26-27(4)21(18)24-12-23-20/h5-12,19H,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyUOAAEAFFXUAMKR-IBGZPJMESA-N
MW358.45 g/mol
LogP3.89
Rot. Bonds4

About N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95870277) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95870277
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(C)c([C@@H](Nc2ncnc3c2c(C)nn3C)c2cccnc2)c1
InChIInChI=1S/C21H22N6/c1-13-7-8-14(2)17(10-13)19(16-6-5-9-22-11-16)25-20-18-15(3)26-27(4)21(18)24-12-23-20/h5-12,19H,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyUOAAEAFFXUAMKR-IBGZPJMESA-N
XLogP3.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96573738
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344166
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 72840386
2-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 110434921
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872622

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95870277) is N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(C)c([C@@H](Nc2ncnc3c2c(C)nn3C)c2cccnc2)c1.
What is the InChIKey of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UOAAEAFFXUAMKR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N6/c1-13-7-8-14(2)17(10-13)19(16-6-5-9-22-11-16)25-20-18-15(3)26-27(4)21(18)24-12-23-20/h5-12,19H,1-4H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95870277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).