N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide

C15H24N6O2 — CID 137260856

IUPACN-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N6O2/c1-14(2,3)20-10(22)8-16-13-18-11-9(12(23)19-13)7-17-21(11)15(4,5)6/h7H,8H2,1-6H3,(H,20,22)(H2,16,18,19,23)
InChIKeyUQZGFUKGOFILBB-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.20
Rot. Bonds3

About N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide

N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide (PubChem CID 137260856) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
PubChem CID137260856
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC NameN-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N6O2/c1-14(2,3)20-10(22)8-16-13-18-11-9(12(23)19-13)7-17-21(11)15(4,5)6/h7H,8H2,1-6H3,(H,20,22)(H2,16,18,19,23)
InChIKeyUQZGFUKGOFILBB-UHFFFAOYSA-N
XLogP1.20
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide with MolForge

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Related Compounds

2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
N-[1-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 137268396
1-tert-butyl-6-[(4-ethylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261527
1-tert-butyl-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261660
4-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 137061318
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[(2-hydroxy-1-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272755
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-ethylbenzamide
CID 137261141
1-tert-butyl-6-[[4-(trifluoromethyl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260895
1-tert-butyl-6-[(2,2-difluoro-2-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167780240
(2S)-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,3-dimethylbutanamide
CID 138044160
1-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260973

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide (CID 137260856) is N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide?
The InChIKey is UQZGFUKGOFILBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-14(2,3)20-10(22)8-16-13-18-11-9(12(23)19-13)7-17-21(11)15(4,5)6/h7H,8H2,1-6H3,(H,20,22)(H2,16,18,19,23).
What are the key properties of N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide?
N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide has a molecular weight of 320.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide is sourced from PubChem (CID 137260856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).