7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C10H14N4O — CID 3078645

IUPAC7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)Nc1ncc2c(n1)N(C)C(=O)C2
InChIInChI=1S/C10H14N4O/c1-6(2)12-10-11-5-7-4-8(15)14(3)9(7)13-10/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyVVKJVQIXUVZQFE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.82
Rot. Bonds2

About 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078645) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078645
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)Nc1ncc2c(n1)N(C)C(=O)C2
InChIInChI=1S/C10H14N4O/c1-6(2)12-10-11-5-7-4-8(15)14(3)9(7)13-10/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyVVKJVQIXUVZQFE-UHFFFAOYSA-N
XLogP0.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078645) is 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)Nc1ncc2c(n1)N(C)C(=O)C2.
What is the InChIKey of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VVKJVQIXUVZQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)12-10-11-5-7-4-8(15)14(3)9(7)13-10/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 3078645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).