N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C16H26N6O2 — CID 95778202

IUPACN-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)CN(C)C
InChIInChI=1S/C16H26N6O2/c1-11(16(2,3)9-20(4)5)19-13(23)8-22-10-17-14-12(15(22)24)7-18-21(14)6/h7,10-11H,8-9H2,1-6H3,(H,19,23)/t11-/m1/s1
InChIKeyOMBSVDLNOPLXAP-LLVKDONJSA-N
MW334.42 g/mol
LogP0.22
Rot. Bonds6

About N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 95778202) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID95778202
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)CN(C)C
InChIInChI=1S/C16H26N6O2/c1-11(16(2,3)9-20(4)5)19-13(23)8-22-10-17-14-12(15(22)24)7-18-21(14)6/h7,10-11H,8-9H2,1-6H3,(H,19,23)/t11-/m1/s1
InChIKeyOMBSVDLNOPLXAP-LLVKDONJSA-N
XLogP0.22
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methylheptan-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24629017
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24597429
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95167734
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17446665
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 52598898
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide
CID 55497955

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 95778202) is N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)C(C)(C)CN(C)C.
What is the InChIKey of N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is OMBSVDLNOPLXAP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11(16(2,3)9-20(4)5)19-13(23)8-22-10-17-14-12(15(22)24)7-18-21(14)6/h7,10-11H,8-9H2,1-6H3,(H,19,23)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 95778202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).