5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one

C15H16N4O — CID 82487599

IUPAC5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCc1ncnc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1N
InChIInChI=1S/C15H16N4O/c1-8-12(16)13(18-7-17-8)9-4-5-11-10(6-9)15(2,3)14(20)19-11/h4-7H,16H2,1-3H3,(H,19,20)
InChIKeyHGMFRHPVZGFNEA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds1

About 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one

5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82487599) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82487599
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCc1ncnc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1N
InChIInChI=1S/C15H16N4O/c1-8-12(16)13(18-7-17-8)9-4-5-11-10(6-9)15(2,3)14(20)19-11/h4-7H,16H2,1-3H3,(H,19,20)
InChIKeyHGMFRHPVZGFNEA-UHFFFAOYSA-N
XLogP2.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one (CID 82487599) is 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one is Cc1ncnc(-c2ccc3c(c2)C(C)(C)C(=O)N3)c1N.
What is the InChIKey of 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is HGMFRHPVZGFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8-12(16)13(18-7-17-8)9-4-5-11-10(6-9)15(2,3)14(20)19-11/h4-7H,16H2,1-3H3,(H,19,20).
What are the key properties of 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one?
5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82487599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).