6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C16H19N5O2 — CID 136539911

IUPAC6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CCCOCc1ccccc1)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-21(8-5-9-23-11-12-6-3-2-4-7-12)16-18-14-13(10-17-20-14)15(22)19-16/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,17,18,19,20,22)
InChIKeyVJQRDCSBMZWYMK-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.69
Rot. Bonds7

About 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136539911) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136539911
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CCCOCc1ccccc1)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-21(8-5-9-23-11-12-6-3-2-4-7-12)16-18-14-13(10-17-20-14)15(22)19-16/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,17,18,19,20,22)
InChIKeyVJQRDCSBMZWYMK-UHFFFAOYSA-N
XLogP1.69
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137261772
6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136811144
5-bromo-N-methyl-N-(3-phenylmethoxypropyl)-1,3-thiazol-2-amine
CID 178026029
6-[methyl(2-phenylethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274998
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
7-chloro-4-methyl-6-(7-phenylmethoxyheptoxy)-2H-phthalazin-1-one
CID 169313785
2-[4-(propoxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551146
2-[2-methoxyethyl(methyl)amino]-4-phenyl-1H-pyrimidin-6-one
CID 136575811
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137258011

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136539911) is 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(CCCOCc1ccccc1)c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VJQRDCSBMZWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21(8-5-9-23-11-12-6-3-2-4-7-12)16-18-14-13(10-17-20-14)15(22)19-16/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,17,18,19,20,22).
What are the key properties of 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(3-phenylmethoxypropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).