2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H14N6OS — CID 146268703

IUPAC2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(7-11)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-24-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyBQHQLEQMVRYOBK-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268703) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268703
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1
InChIInChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(7-11)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-24-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20)
InChIKeyBQHQLEQMVRYOBK-UHFFFAOYSA-N
XLogP2.59
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866553
2-[1-[1-(4-Methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 25150449
3-[(4-Methoxyphenyl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 70677533
N-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 168272692
8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 59612554
US9018217, 2-[4-(3-Methoxy-phenyl)-1-methyl-1H-imidazol-2-ylmethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66636121
6-(3-methoxyphenyl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71525986
US11786528, Example 16
CID 146268701
6-(4-Methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24894505
2-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790461

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268703) is 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cn2cc3c(N)nc(-c4ccsn4)nc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BQHQLEQMVRYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-23-11-4-2-3-10(7-11)8-22-9-12-14(17)18-16(19-15(12)20-22)13-5-6-24-21-13/h2-7,9H,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).