1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H25N5O2 — CID 137261684

IUPAC1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1C(C)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H25N5O2/c1-12(13-8-6-7-9-15(13)26-5)10-20-18-22-16-14(17(25)23-18)11-21-24(16)19(2,3)4/h6-9,11-12H,10H2,1-5H3,(H2,20,22,23,25)
InChIKeyWELZAPVBQVXMJB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.10
Rot. Bonds5

About 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137261684) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137261684
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1C(C)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H25N5O2/c1-12(13-8-6-7-9-15(13)26-5)10-20-18-22-16-14(17(25)23-18)11-21-24(16)19(2,3)4/h6-9,11-12H,10H2,1-5H3,(H2,20,22,23,25)
InChIKeyWELZAPVBQVXMJB-UHFFFAOYSA-N
XLogP3.10
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-6-(2-phenylsulfanylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275533
1-tert-butyl-6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261300
1-tert-butyl-6-[(3,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264574
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260732
1-tert-butyl-6-[(4-ethoxy-3-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261097
1-tert-butyl-6-[2-(4-methoxyphenoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260867
1-tert-butyl-6-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137249009
1-tert-butyl-6-[(2,2-difluoro-2-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167780240
1-tert-butyl-6-[1-(2,4-difluorophenyl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260792
1-tert-butyl-6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270653
1-tert-butyl-6-[(2-hydroxy-1-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272755

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137261684) is 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccccc1C(C)CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WELZAPVBQVXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12(13-8-6-7-9-15(13)26-5)10-20-18-22-16-14(17(25)23-18)11-21-24(16)19(2,3)4/h6-9,11-12H,10H2,1-5H3,(H2,20,22,23,25).
What are the key properties of 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[2-(2-methoxyphenyl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137261684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).