(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone

C15H17N7O — CID 45139232

IUPAC(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)n1
InChIInChI=1S/C15H17N7O/c1-8(2)22-6-9(12-14(16)19-7-20-15(12)22)13(23)10-4-18-5-11(17-3)21-10/h4-8H,1-3H3,(H,17,21)(H2,16,19,20)
InChIKeyDARCJPMHPYRUAA-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.66
Rot. Bonds4

About (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone

(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone (PubChem CID 45139232) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
PubChem CID45139232
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone
SMILESCNc1cncc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)n1
InChIInChI=1S/C15H17N7O/c1-8(2)22-6-9(12-14(16)19-7-20-15(12)22)13(23)10-4-18-5-11(17-3)21-10/h4-8H,1-3H3,(H,17,21)(H2,16,19,20)
InChIKeyDARCJPMHPYRUAA-UHFFFAOYSA-N
XLogP1.66
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone (CID 45139232) is (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone is CNc1cncc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)n1.
What is the InChIKey of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
The InChIKey is DARCJPMHPYRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-8(2)22-6-9(12-14(16)19-7-20-15(12)22)13(23)10-4-18-5-11(17-3)21-10/h4-8H,1-3H3,(H,17,21)(H2,16,19,20).
What are the key properties of (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone?
(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone has a molecular weight of 311.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-[6-(methylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 45139232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).