7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C17H19N5O — CID 139331158

IUPAC7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)cn2C1CCCC1
InChIInChI=1S/C17H19N5O/c18-16-15-12(13-7-14(23-21-13)10-5-6-10)8-22(11-3-1-2-4-11)17(15)20-9-19-16/h7-11H,1-6H2,(H2,18,19,20)
InChIKeyLDZIPTANIIYDFM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.66
Rot. Bonds3

About 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331158) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331158
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1cc(C3CC3)on1)cn2C1CCCC1
InChIInChI=1S/C17H19N5O/c18-16-15-12(13-7-14(23-21-13)10-5-6-10)8-22(11-3-1-2-4-11)17(15)20-9-19-16/h7-11H,1-6H2,(H2,18,19,20)
InChIKeyLDZIPTANIIYDFM-UHFFFAOYSA-N
XLogP3.66
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331228
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
3-(5-cyclopropyl-1,2-oxazol-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126592360
5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-4-phenylbenzenesulfinamide
CID 58089341
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3,5-dichlorobenzenesulfinamide
CID 58089362
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-methylphenyl]-4-iodobenzenesulfinamide
CID 142967828
5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167544912
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone
CID 174494554
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-fluorobenzenesulfinamide
CID 58089307
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-tert-butylphenyl]benzenesulfonamide
CID 58089333
5-(1,3-benzodioxol-5-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155569461

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 139331158) is 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1cc(C3CC3)on1)cn2C1CCCC1.
What is the InChIKey of 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LDZIPTANIIYDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-15-12(13-7-14(23-21-13)10-5-6-10)8-22(11-3-1-2-4-11)17(15)20-9-19-16/h7-11H,1-6H2,(H2,18,19,20).
What are the key properties of 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).