N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide

C21H24N8O — CID 130350461

IUPACN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)C3=CNCN=C3)c3ncnc(N)c23)cc1
InChIInChI=1S/C21H24N8O/c1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15/h4-9,12,23H,10-11H2,1-3H3,(H,25,30)(H2,22,26,27)
InChIKeyGPHCXDOWSDRQQW-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.75
Rot. Bonds5

About N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide (PubChem CID 130350461) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide
PubChem CID130350461
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2nn(C(C)(C)CNC(=O)C3=CNCN=C3)c3ncnc(N)c23)cc1
InChIInChI=1S/C21H24N8O/c1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15/h4-9,12,23H,10-11H2,1-3H3,(H,25,30)(H2,22,26,27)
InChIKeyGPHCXDOWSDRQQW-UHFFFAOYSA-N
XLogP1.75
TPSA123.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-methylpyridine-2-carboxamide
CID 56603447
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-6-methylpyridine-2-carboxamide
CID 56602610
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide
CID 56602779
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-fluorobenzamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrazine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-2-carboxamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]pyrimidine-5-carboxamide
CID 158876891
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 135357641
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(2-fluoropropyl)-1H-indole-2-carboxamide
CID 167657437
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(cyclopropylmethyl)-1H-indole-2-carboxamide
CID 142452632
1-[4-[5-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pentyl]piperazin-1-yl]propan-1-one
CID 167297547
6-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-N-butyl-1H-indole-2-carboxamide
CID 135358131
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide (CID 130350461) is N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide is Cc1ccc(-c2nn(C(C)(C)CNC(=O)C3=CNCN=C3)c3ncnc(N)c23)cc1.
What is the InChIKey of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide?
The InChIKey is GPHCXDOWSDRQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-13-4-6-14(7-5-13)17-16-18(22)26-12-27-19(16)29(28-17)21(2,3)10-25-20(30)15-8-23-11-24-9-15/h4-9,12,23H,10-11H2,1-3H3,(H,25,30)(H2,22,26,27).
What are the key properties of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide?
N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-1,2-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 130350461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).