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

C16H19N5O — CID 139331161

IUPAC7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O/c1-16(2,3)21-7-10(13-14(17)18-8-19-15(13)21)11-6-12(22-20-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyZKTHKOCQUXQEGT-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.30
Rot. Bonds2

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

7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331161) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331161
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21
InChIInChI=1S/C16H19N5O/c1-16(2,3)21-7-10(13-14(17)18-8-19-15(13)21)11-6-12(22-20-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyZKTHKOCQUXQEGT-UHFFFAOYSA-N
XLogP3.30
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 121375819
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CID 71225451
CID 71225451
CID 117841261
CID 117841261
CID 117841270
CID 117841270
CID 126591726
CID 126591726
CID 126591906
CID 126591906
CID 126591909
CID 126591909
CID 126591918
CID 126591918
CID 126591922
CID 126591922
CID 126591927
CID 126591927
CID 126592010
CID 126592010

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 139331161) is 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21.
What is the InChIKey of 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZKTHKOCQUXQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)21-7-10(13-14(17)18-8-19-15(13)21)11-6-12(22-20-11)9-4-5-9/h6-9H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).