3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide

C17H20N6O2 — CID 139331187

IUPAC3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1
InChIInChI=1S/C17H20N6O2/c1-8(2)23-6-10(11-15(18)20-7-21-16(11)23)13-12(17(24)19-3)14(25-22-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,19,24)(H2,18,20,21)
InChIKeyUVVACFPMVNFJJY-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.49
Rot. Bonds4

About 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide

3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 139331187) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID139331187
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1
InChIInChI=1S/C17H20N6O2/c1-8(2)23-6-10(11-15(18)20-7-21-16(11)23)13-12(17(24)19-3)14(25-22-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,19,24)(H2,18,20,21)
InChIKeyUVVACFPMVNFJJY-UHFFFAOYSA-N
XLogP2.49
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide (CID 139331187) is 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide is CNC(=O)c1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1.
What is the InChIKey of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UVVACFPMVNFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-8(2)23-6-10(11-15(18)20-7-21-16(11)23)13-12(17(24)19-3)14(25-22-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,19,24)(H2,18,20,21).
What are the key properties of 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide?
3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 139331187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).