6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H19N5O2 — CID 136969890

IUPAC6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1CNc1nc2c(cnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-14-12(9-18-21)15(22)20-16(19-14)17-8-11-6-4-5-7-13(11)23-3/h4-7,9-10H,8H2,1-3H3,(H2,17,19,20,22)
InChIKeyDNMOIWIFLVOMQG-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.32
Rot. Bonds5

About 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969890) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969890
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1CNc1nc2c(cnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-14-12(9-18-21)15(22)20-16(19-14)17-8-11-6-4-5-7-13(11)23-3/h4-7,9-10H,8H2,1-3H3,(H2,17,19,20,22)
InChIKeyDNMOIWIFLVOMQG-UHFFFAOYSA-N
XLogP2.32
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969890) is 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccccc1CNc1nc2c(cnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DNMOIWIFLVOMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)21-14-12(9-18-21)15(22)20-16(19-14)17-8-11-6-4-5-7-13(11)23-3/h4-7,9-10H,8H2,1-3H3,(H2,17,19,20,22).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).