6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C14H15N5O — CID 137262862

IUPAC6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1ccc(CNc2nc3[nH]ncc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O/c1-2-9-3-5-10(6-4-9)7-15-14-17-12-11(8-16-19-12)13(20)18-14/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyUPOKYTVTGAWQGX-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.82
Rot. Bonds4

About 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137262862) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137262862
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1ccc(CNc2nc3[nH]ncc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O/c1-2-9-3-5-10(6-4-9)7-15-14-17-12-11(8-16-19-12)13(20)18-14/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyUPOKYTVTGAWQGX-UHFFFAOYSA-N
XLogP1.82
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136537393
1-tert-butyl-6-[(4-ethylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261527
6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135422910
6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262912
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135483440
6-[(2-tert-butylcyclopentyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136547843
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
6-[[2-cyclohexyl-2-(dimethylamino)ethyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137272101
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-ethylbenzamide
CID 137261141
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137262862) is 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CCc1ccc(CNc2nc3[nH]ncc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UPOKYTVTGAWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-9-3-5-10(6-4-9)7-15-14-17-12-11(8-16-19-12)13(20)18-14/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 269.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137262862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).