1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane

C10H14N4O — CID 165397832

IUPAC1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane
SMILESC.CC(=O)c1c[nH]c2nc(C)nc(N)c12
InChIInChI=1S/C9H10N4O.CH4/c1-4(14)6-3-11-9-7(6)8(10)12-5(2)13-9;/h3H,1-2H3,(H3,10,11,12,13);1H4
InChIKeyHICPYUCSNQKAAD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.69
Rot. Bonds1

About 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane

1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane (PubChem CID 165397832) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane.

Molecular Properties

Compound Name1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane
PubChem CID165397832
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane
SMILESC.CC(=O)c1c[nH]c2nc(C)nc(N)c12
InChIInChI=1S/C9H10N4O.CH4/c1-4(14)6-3-11-9-7(6)8(10)12-5(2)13-9;/h3H,1-2H3,(H3,10,11,12,13);1H4
InChIKeyHICPYUCSNQKAAD-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane?
The IUPAC name of 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane (CID 165397832) is 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane.
What is the SMILES notation for 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane?
The canonical SMILES for 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane is C.CC(=O)c1c[nH]c2nc(C)nc(N)c12.
What is the InChIKey of 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane?
The InChIKey is HICPYUCSNQKAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.CH4/c1-4(14)6-3-11-9-7(6)8(10)12-5(2)13-9;/h3H,1-2H3,(H3,10,11,12,13);1H4.
What are the key properties of 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane?
1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane has a molecular weight of 206.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane is sourced from PubChem (CID 165397832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).