[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol

C16H19N5O2 — CID 139331114

IUPAC[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol
SMILESCC(C)n1c(CO)c(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O2/c1-8(2)21-11(6-22)13(14-15(17)18-7-19-16(14)21)10-5-12(23-20-10)9-3-4-9/h5,7-9,22H,3-4,6H2,1-2H3,(H2,17,18,19)
InChIKeyYFTMCXOYACKXGD-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.62
Rot. Bonds4

About [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol

[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol (PubChem CID 139331114) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol
PubChem CID139331114
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol
SMILESCC(C)n1c(CO)c(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O2/c1-8(2)21-11(6-22)13(14-15(17)18-7-19-16(14)21)10-5-12(23-20-10)9-3-4-9/h5,7-9,22H,3-4,6H2,1-2H3,(H2,17,18,19)
InChIKeyYFTMCXOYACKXGD-UHFFFAOYSA-N
XLogP2.62
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol?
The IUPAC name of [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol (CID 139331114) is [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol?
The canonical SMILES for [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol is CC(C)n1c(CO)c(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol?
The InChIKey is YFTMCXOYACKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-8(2)21-11(6-22)13(14-15(17)18-7-19-16(14)21)10-5-12(23-20-10)9-3-4-9/h5,7-9,22H,3-4,6H2,1-2H3,(H2,17,18,19).
What are the key properties of [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol?
[4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol has a molecular weight of 313.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 139331114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).