1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H16N6 — CID 110434849

IUPAC1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc21
InChIInChI=1S/C18H16N6/c1-24-18-16(11-22-24)17(20-12-21-18)23-15-4-2-13(3-5-15)10-14-6-8-19-9-7-14/h2-9,11-12H,10H2,1H3,(H,20,21,23)
InChIKeyJYHQHLBAYIINGY-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.09
Rot. Bonds4

About 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110434849) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110434849
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc21
InChIInChI=1S/C18H16N6/c1-24-18-16(11-22-24)17(20-12-21-18)23-15-4-2-13(3-5-15)10-14-6-8-19-9-7-14/h2-9,11-12H,10H2,1H3,(H,20,21,23)
InChIKeyJYHQHLBAYIINGY-UHFFFAOYSA-N
XLogP3.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 110875226
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 693338
6-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430836
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434831
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
1-methyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60876176
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 110434849) is 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc21.
What is the InChIKey of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JYHQHLBAYIINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-24-18-16(11-22-24)17(20-12-21-18)23-15-4-2-13(3-5-15)10-14-6-8-19-9-7-14/h2-9,11-12H,10H2,1H3,(H,20,21,23).
What are the key properties of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110434849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).