N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine

C15H18N6O — CID 82191539

IUPACN'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCOc1ccc(-n2ncc3c(NCCN)ncnc32)cc1
InChIInChI=1S/C15H18N6O/c1-2-22-12-5-3-11(4-6-12)21-15-13(9-20-21)14(17-8-7-16)18-10-19-15/h3-6,9-10H,2,7-8,16H2,1H3,(H,17,18,19)
InChIKeyLJQZDKKNMKDKRD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.58
Rot. Bonds6

About N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine

N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82191539) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82191539
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCOc1ccc(-n2ncc3c(NCCN)ncnc32)cc1
InChIInChI=1S/C15H18N6O/c1-2-22-12-5-3-11(4-6-12)21-15-13(9-20-21)14(17-8-7-16)18-10-19-15/h3-6,9-10H,2,7-8,16H2,1H3,(H,17,18,19)
InChIKeyLJQZDKKNMKDKRD-UHFFFAOYSA-N
XLogP1.58
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N'-[1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]propane-1,3-diamine
CID 82191658
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 3569216
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4100004
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661026
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 1315366

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 82191539) is N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine is CCOc1ccc(-n2ncc3c(NCCN)ncnc32)cc1.
What is the InChIKey of N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is LJQZDKKNMKDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-2-22-12-5-3-11(4-6-12)21-15-13(9-20-21)14(17-8-7-16)18-10-19-15/h3-6,9-10H,2,7-8,16H2,1H3,(H,17,18,19).
What are the key properties of N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 298.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).