6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C15H20N6O — CID 135112393

IUPAC6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1cnc(N2Cc3nc(C)n(C)c(=O)c3C2)nc1N(C)C
InChIInChI=1S/C15H20N6O/c1-9-6-16-15(18-13(9)19(3)4)21-7-11-12(8-21)17-10(2)20(5)14(11)22/h6H,7-8H2,1-5H3
InChIKeyCCNXOKIEOWKANH-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.77
Rot. Bonds2

About 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 135112393) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID135112393
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1cnc(N2Cc3nc(C)n(C)c(=O)c3C2)nc1N(C)C
InChIInChI=1S/C15H20N6O/c1-9-6-16-15(18-13(9)19(3)4)21-7-11-12(8-21)17-10(2)20(5)14(11)22/h6H,7-8H2,1-5H3
InChIKeyCCNXOKIEOWKANH-UHFFFAOYSA-N
XLogP0.77
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 135112393) is 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1cnc(N2Cc3nc(C)n(C)c(=O)c3C2)nc1N(C)C.
What is the InChIKey of 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is CCNXOKIEOWKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-6-16-15(18-13(9)19(3)4)21-7-11-12(8-21)17-10(2)20(5)14(11)22/h6H,7-8H2,1-5H3.
What are the key properties of 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 300.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135112393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).