6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H23N5O2 — CID 135419269

IUPAC6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N(C)C)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-6-9-25-14-8-7-12(22(3)4)10-13(14)16-19-17-15(18(24)20-16)11(2)21-23(17)5/h7-8,10H,6,9H2,1-5H3,(H,19,20,24)
InChIKeyDPLCFJGPNXCCRN-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.49
Rot. Bonds5

About 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135419269) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135419269
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCOc1ccc(N(C)C)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1
InChIInChI=1S/C18H23N5O2/c1-6-9-25-14-8-7-12(22(3)4)10-13(14)16-19-17-15(18(24)20-16)11(2)21-23(17)5/h7-8,10H,6,9H2,1-5H3,(H,19,20,24)
InChIKeyDPLCFJGPNXCCRN-UHFFFAOYSA-N
XLogP2.49
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135513951
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-thiourea
CID 135513970
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135536783
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-4-fluoro-benzamide
CID 135406502
N-[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]thiophene-2-carboxamide
CID 135415142
3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-ethyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135419318
[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-carbamic acid methyl ester
CID 135419329

Frequently Asked Questions

What is the IUPAC name of 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135419269) is 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCOc1ccc(N(C)C)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1.
What is the InChIKey of 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DPLCFJGPNXCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-6-9-25-14-8-7-12(22(3)4)10-13(14)16-19-17-15(18(24)20-16)11(2)21-23(17)5/h7-8,10H,6,9H2,1-5H3,(H,19,20,24).
What are the key properties of 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 341.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dimethylamino)-2-propoxyphenyl]-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135419269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).