N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide

C18H30N6O — CID 71223119

IUPACN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)N(CCn1ncc2c(NC(=O)C(C)(C)C)ncnc21)C(C)C
InChIInChI=1S/C18H30N6O/c1-12(2)23(13(3)4)8-9-24-16-14(10-21-24)15(19-11-20-16)22-17(25)18(5,6)7/h10-13H,8-9H2,1-7H3,(H,19,20,22,25)
InChIKeyWECGBTNGGRSRJA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.93
Rot. Bonds6

About N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 71223119) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
PubChem CID71223119
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC NameN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)N(CCn1ncc2c(NC(=O)C(C)(C)C)ncnc21)C(C)C
InChIInChI=1S/C18H30N6O/c1-12(2)23(13(3)4)8-9-24-16-14(10-21-24)15(19-11-20-16)22-17(25)18(5,6)7/h10-13H,8-9H2,1-7H3,(H,19,20,22,25)
InChIKeyWECGBTNGGRSRJA-UHFFFAOYSA-N
XLogP2.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide (CID 71223119) is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is CC(C)N(CCn1ncc2c(NC(=O)C(C)(C)C)ncnc21)C(C)C.
What is the InChIKey of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is WECGBTNGGRSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-12(2)23(13(3)4)8-9-24-16-14(10-21-24)15(19-11-20-16)22-17(25)18(5,6)7/h10-13H,8-9H2,1-7H3,(H,19,20,22,25).
What are the key properties of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 346.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71223119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).