1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H25N5O — CID 45484981

IUPAC1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C
InChIInChI=1S/C19H25N5O/c1-6-14(7-2)23-18-16-11-20-24(19(16)22-13(4)21-18)17-9-8-15(25-5)10-12(17)3/h8-11,14H,6-7H2,1-5H3,(H,21,22,23)
InChIKeyILOGEMOPSUZYRN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.04
Rot. Bonds6

About 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 45484981) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID45484981
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C
InChIInChI=1S/C19H25N5O/c1-6-14(7-2)23-18-16-11-20-24(19(16)22-13(4)21-18)17-9-8-15(25-5)10-12(17)3/h8-11,14H,6-7H2,1-5H3,(H,21,22,23)
InChIKeyILOGEMOPSUZYRN-UHFFFAOYSA-N
XLogP4.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloro-2-methylphenyl)-N-(1-methoxybutan-2-yl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 135389997
4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 43381639
10-(4-methoxy-2-methylphenyl)-N-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;hydrochloride
CID 22177987
1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205478
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726304
1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725826
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 22177772
3-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 137490685
N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 80725841
N-(2,5-dimethoxyphenyl)-6-methyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 993516
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726200

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 45484981) is 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ILOGEMOPSUZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-6-14(7-2)23-18-16-11-20-24(19(16)22-13(4)21-18)17-9-8-15(25-5)10-12(17)3/h8-11,14H,6-7H2,1-5H3,(H,21,22,23).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-6-methyl-N-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45484981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).