(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C17H19N5O — CID 118282791

IUPAC(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCCC(C)(C)n1cc(C(=O)c2ccnc(N)c2)c2cncnc21
InChIInChI=1S/C17H19N5O/c1-4-17(2,3)22-9-13(12-8-19-10-21-16(12)22)15(23)11-5-6-20-14(18)7-11/h5-10H,4H2,1-3H3,(H2,18,20)
InChIKeyKKCGFVNMCUHFCG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.78
Rot. Bonds4

About (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone

(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 118282791) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID118282791
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCCC(C)(C)n1cc(C(=O)c2ccnc(N)c2)c2cncnc21
InChIInChI=1S/C17H19N5O/c1-4-17(2,3)22-9-13(12-8-19-10-21-16(12)22)15(23)11-5-6-20-14(18)7-11/h5-10H,4H2,1-3H3,(H2,18,20)
InChIKeyKKCGFVNMCUHFCG-UHFFFAOYSA-N
XLogP2.78
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 118282791) is (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone is CCC(C)(C)n1cc(C(=O)c2ccnc(N)c2)c2cncnc21.
What is the InChIKey of (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is KKCGFVNMCUHFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-17(2,3)22-9-13(12-8-19-10-21-16(12)22)15(23)11-5-6-20-14(18)7-11/h5-10H,4H2,1-3H3,(H2,18,20).
What are the key properties of (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 118282791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).