4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C16H20N6O2 — CID 118289024

IUPAC4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CC3COC3)c2C)nc2[nH]ccc12
InChIInChI=1S/C16H20N6O2/c1-3-24-15-12-4-5-17-14(12)20-16(21-15)19-13-6-18-22(10(13)2)7-11-8-23-9-11/h4-6,11H,3,7-9H2,1-2H3,(H2,17,19,20,21)
InChIKeyILBKDTBAMPEHDL-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.25
Rot. Bonds6

About 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 118289024) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID118289024
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(Nc2cnn(CC3COC3)c2C)nc2[nH]ccc12
InChIInChI=1S/C16H20N6O2/c1-3-24-15-12-4-5-17-14(12)20-16(21-15)19-13-6-18-22(10(13)2)7-11-8-23-9-11/h4-6,11H,3,7-9H2,1-2H3,(H2,17,19,20,21)
InChIKeyILBKDTBAMPEHDL-UHFFFAOYSA-N
XLogP2.25
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 118289024) is 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(Nc2cnn(CC3COC3)c2C)nc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ILBKDTBAMPEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-3-24-15-12-4-5-17-14(12)20-16(21-15)19-13-6-18-22(10(13)2)7-11-8-23-9-11/h4-6,11H,3,7-9H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-methyl-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 118289024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).