1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5O — CID 110875195

IUPAC1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccccc3Oc3ccccc3)ncnc21
InChIInChI=1S/C18H15N5O/c1-23-18-14(11-21-23)17(19-12-20-18)22-15-9-5-6-10-16(15)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
InChIKeyJTZSIJQRCKBXPE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.90
Rot. Bonds4

About 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110875195) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110875195
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccccc3Oc3ccccc3)ncnc21
InChIInChI=1S/C18H15N5O/c1-23-18-14(11-21-23)17(19-12-20-18)22-15-9-5-6-10-16(15)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22)
InChIKeyJTZSIJQRCKBXPE-UHFFFAOYSA-N
XLogP3.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434831
4-methyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 110434846
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
1-benzyl-N-(2,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4897823
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 110875226
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110875195) is 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3ccccc3Oc3ccccc3)ncnc21.
What is the InChIKey of 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JTZSIJQRCKBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-18-14(11-21-23)17(19-12-20-18)22-15-9-5-6-10-16(15)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,20,22).
What are the key properties of 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110875195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).