1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5O — CID 1107332

IUPAC1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyCBTKHYOPVKKMBN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.60
Rot. Bonds4

About 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1107332) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1107332
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyCBTKHYOPVKKMBN-UHFFFAOYSA-N
XLogP2.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
1-benzyl-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 711559
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
1-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017510
methyl 2-[4-(3-fluoro-5-methoxyanilino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133362703
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 56794809
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
1-benzyl-N-(2,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4897823
6-methyl-5-[[4-[4-(trifluoromethoxy)anilino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]cyclohexa-2,4-dien-1-ol
CID 138567624

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1107332) is 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc2c(Nc3ccc(OC)cc3)ncnc21.
What is the InChIKey of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CBTKHYOPVKKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18).
What are the key properties of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).