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

C15H22N6O2 — CID 137262172

IUPAC2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)NCC3CC3)nc21
InChIInChI=1S/C15H22N6O2/c1-15(2,3)21-12-10(7-18-21)13(23)20-14(19-12)17-8-11(22)16-6-9-4-5-9/h7,9H,4-6,8H2,1-3H3,(H,16,22)(H2,17,19,20,23)
InChIKeyJERYWMNSOJQHEM-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.81
Rot. Bonds5

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

2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 137262172) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
PubChem CID137262172
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)NCC3CC3)nc21
InChIInChI=1S/C15H22N6O2/c1-15(2,3)21-12-10(7-18-21)13(23)20-14(19-12)17-8-11(22)16-6-9-4-5-9/h7,9H,4-6,8H2,1-3H3,(H,16,22)(H2,17,19,20,23)
InChIKeyJERYWMNSOJQHEM-UHFFFAOYSA-N
XLogP0.81
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 137260856
1-tert-butyl-6-(3-cyclohexylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261091
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-(4-methylpiperidin-1-yl)butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261164
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504
1-tert-butyl-6-[(1-methoxycyclobutyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273788
1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136681321
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-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261105
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-ethylbenzamide
CID 137261141
1-tert-butyl-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271095

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide (CID 137262172) is 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide is CC(C)(C)n1ncc2c(=O)[nH]c(NCC(=O)NCC3CC3)nc21.
What is the InChIKey of 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is JERYWMNSOJQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-15(2,3)21-12-10(7-18-21)13(23)20-14(19-12)17-8-11(22)16-6-9-4-5-9/h7,9H,4-6,8H2,1-3H3,(H,16,22)(H2,17,19,20,23).
What are the key properties of 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide?
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 137262172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).