(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone

C16H17N5O — CID 141348766

IUPAC(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
SMILESCC(C)(C)n1cc(C(=O)c2cccnc2)c2cnc(N)nc21
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-9-12(11-8-19-15(17)20-14(11)21)13(22)10-5-4-6-18-7-10/h4-9H,1-3H3,(H2,17,19,20)
InChIKeyNSKMDUAFIDMCEB-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.39
Rot. Bonds2

About (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone

(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone (PubChem CID 141348766) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
PubChem CID141348766
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
SMILESCC(C)(C)n1cc(C(=O)c2cccnc2)c2cnc(N)nc21
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-9-12(11-8-19-15(17)20-14(11)21)13(22)10-5-4-6-18-7-10/h4-9H,1-3H3,(H2,17,19,20)
InChIKeyNSKMDUAFIDMCEB-UHFFFAOYSA-N
XLogP2.39
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone with MolForge

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Related Compounds

[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone
CID 70817725
(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
CID 141348770
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
[2-amino-5-(2-aminopyrimidin-4-yl)phenyl]-pyridin-3-ylmethanone
CID 163703633
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 90683770
(2-amino-4-pyridinyl)-[7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 118282791
1-tert-butyl-6-[(4-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
imidazo[5,1-b][1,3]thiazol-7-yl(pyridin-3-yl)methanone
CID 22390355
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321

Frequently Asked Questions

What is the IUPAC name of (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone (CID 141348766) is (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone is CC(C)(C)n1cc(C(=O)c2cccnc2)c2cnc(N)nc21.
What is the InChIKey of (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
The InChIKey is NSKMDUAFIDMCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)21-9-12(11-8-19-15(17)20-14(11)21)13(22)10-5-4-6-18-7-10/h4-9H,1-3H3,(H2,17,19,20).
What are the key properties of (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone?
(2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone has a molecular weight of 295.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 141348766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).