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

C10H15ClN4O — CID 3078644

IUPAC7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC(C)Nc1ncc2c(n1)N(C)C(=O)C2.Cl
InChIInChI=1S/C10H14N4O.ClH/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);1H
InChIKeyORUWXXSBRORKSJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.24
Rot. Bonds2

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

7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078644) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078644
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC(C)Nc1ncc2c(n1)N(C)C(=O)C2.Cl
InChIInChI=1S/C10H14N4O.ClH/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);1H
InChIKeyORUWXXSBRORKSJ-UHFFFAOYSA-N
XLogP1.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.24
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;hydrochloride?
The IUPAC name of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078644) is 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CC(C)Nc1ncc2c(n1)N(C)C(=O)C2.Cl.
What is the InChIKey of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is ORUWXXSBRORKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.ClH/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);1H.
What are the key properties of 7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.24, 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;hydrochloride is sourced from PubChem (CID 3078644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).