2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C19H24N6O — CID 95112936

IUPAC2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H24N6O/c1-4-24(5-2)18-16-11-22-25(19(16)21-13-20-18)12-17(26)23-14(3)15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyBONDMUTXACQDNW-CQSZACIVSA-N
MW352.44 g/mol
LogP2.55
Rot. Bonds7

About 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 95112936) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID95112936
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C19H24N6O/c1-4-24(5-2)18-16-11-22-25(19(16)21-13-20-18)12-17(26)23-14(3)15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyBONDMUTXACQDNW-CQSZACIVSA-N
XLogP2.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(1-phenylethyl)acetamide
CID 53196767
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53196750
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
N-[(1R)-1-phenylethyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653457
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 169098828
N-butan-2-yl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196292
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 95112936) is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is CCN(CC)c1ncnc2c1cnn2CC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is BONDMUTXACQDNW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O/c1-4-24(5-2)18-16-11-22-25(19(16)21-13-20-18)12-17(26)23-14(3)15-9-7-6-8-10-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 95112936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).