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

C15H14F3N5O — CID 139338603

IUPAC5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21)C(F)(F)F
InChIInChI=1S/C15H14F3N5O/c1-7(15(16,17)18)23-5-9(12-13(19)20-6-21-14(12)23)10-4-11(24-22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21)
InChIKeyXNTVLBKDSVFJDB-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.67
Rot. Bonds3

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

5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139338603) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139338603
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21)C(F)(F)F
InChIInChI=1S/C15H14F3N5O/c1-7(15(16,17)18)23-5-9(12-13(19)20-6-21-14(12)23)10-4-11(24-22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21)
InChIKeyXNTVLBKDSVFJDB-UHFFFAOYSA-N
XLogP3.67
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-[2-[(5-Cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-2-methylpyrrolo[1,2-a]pyrimidin-6-yl]acetic acid
CID 71225530
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-heptylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591726
1-Propan-2-yl-3-(5-propan-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591906
1-Cyclohexyl-3-(5-cyclopropyl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126591922
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126591927
3-(5-Cyclopentyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592010
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592165
3-(5-Ethyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592367
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-N-hydroxyheptanamide
CID 168275989
4-[3-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90426265
5-cyclopropyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90683954
1-[4-[[5-(3,5-Dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-1-piperidyl]-2,2,2-trifluoro-ethanone
CID 117628223

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 139338603) is 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21)C(F)(F)F.
What is the InChIKey of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XNTVLBKDSVFJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-7(15(16,17)18)23-5-9(12-13(19)20-6-21-14(12)23)10-4-11(24-22-10)8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21).
What are the key properties of 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 337.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2-oxazol-3-yl)-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139338603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).