N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14ClN5O — CID 103292863

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ncnc2c1cnn2C
InChIInChI=1S/C14H14ClN5O/c1-20-14-10(7-19-20)13(17-8-18-14)16-6-9-11(15)4-3-5-12(9)21-2/h3-5,7-8H,6H2,1-2H3,(H,16,17,18)
InChIKeyRTSHZLFFSAYHDO-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103292863) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103292863
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ncnc2c1cnn2C
InChIInChI=1S/C14H14ClN5O/c1-20-14-10(7-19-20)13(17-8-18-14)16-6-9-11(15)4-3-5-12(9)21-2/h3-5,7-8H,6H2,1-2H3,(H,16,17,18)
InChIKeyRTSHZLFFSAYHDO-UHFFFAOYSA-N
XLogP2.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-[(4-bromo-2-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 47446344
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
1-(2-methoxyphenyl)-2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide
CID 111101780
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
1-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86808230

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 103292863) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cl)c1CNc1ncnc2c1cnn2C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RTSHZLFFSAYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-20-14-10(7-19-20)13(17-8-18-14)16-6-9-11(15)4-3-5-12(9)21-2/h3-5,7-8H,6H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103292863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).