5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C20H26N6O — CID 139331232

IUPAC5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncnc21
InChIInChI=1S/C20H26N6O/c1-12(2)25-10-14(18-19(21)22-11-23-20(18)25)16-9-15(13-6-7-13)24-26(16)17-5-3-4-8-27-17/h9-13,17H,3-8H2,1-2H3,(H2,21,22,23)
InChIKeySQZLACFZXYZZGX-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.03
Rot. Bonds4

About 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331232) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331232
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncnc21
InChIInChI=1S/C20H26N6O/c1-12(2)25-10-14(18-19(21)22-11-23-20(18)25)16-9-15(13-6-7-13)24-26(16)17-5-3-4-8-27-17/h9-13,17H,3-8H2,1-2H3,(H2,21,22,23)
InChIKeySQZLACFZXYZZGX-UHFFFAOYSA-N
XLogP4.03
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 139331232) is 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncnc21.
What is the InChIKey of 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SQZLACFZXYZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-12(2)25-10-14(18-19(21)22-11-23-20(18)25)16-9-15(13-6-7-13)24-26(16)17-5-3-4-8-27-17/h9-13,17H,3-8H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).