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

C16H14N6O2 — CID 146268711

IUPAC2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1
InChIInChI=1S/C16H14N6O2/c1-23-11-4-2-3-10(7-11)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyCRPMPLAMONAWJY-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.12
Rot. Bonds4

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

2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268711) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268711
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1
InChIInChI=1S/C16H14N6O2/c1-23-11-4-2-3-10(7-11)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21)
InChIKeyCRPMPLAMONAWJY-UHFFFAOYSA-N
XLogP2.12
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 164623604
CID 164623604
CID 23381202
CID 23381202
CID 146490906
CID 146490906
CID 118494395
CID 118494395
CID 124088863
CID 124088863
CID 146268696
CID 146268696
CID 146268710
CID 146268710
CID 146268717
CID 146268717
CID 146268722
CID 146268722
CID 49789353
CID 49789353
CID 56758574
CID 56758574
CID 68735805
CID 68735805

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268711) is 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cn2cc3c(N)nc(-c4ncco4)nc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CRPMPLAMONAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-23-11-4-2-3-10(7-11)8-22-9-12-13(17)19-15(20-14(12)21-22)16-18-5-6-24-16/h2-7,9H,8H2,1H3,(H2,17,19,20,21).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 322.33 g/mol, XLogP of 2.12, 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-(1,3-oxazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).