2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C9H12N4O — CID 118389315

IUPAC2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(n1)CN(C(N)=O)C2
InChIInChI=1S/C9H12N4O/c1-5-7-3-13(9(10)14)4-8(7)12-6(2)11-5/h3-4H2,1-2H3,(H2,10,14)
InChIKeyXTFUIQPRRMQOML-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.49
Rot. Bonds

About 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 118389315) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID118389315
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(n1)CN(C(N)=O)C2
InChIInChI=1S/C9H12N4O/c1-5-7-3-13(9(10)14)4-8(7)12-6(2)11-5/h3-4H2,1-2H3,(H2,10,14)
InChIKeyXTFUIQPRRMQOML-UHFFFAOYSA-N
XLogP0.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 118389315) is 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(n1)CN(C(N)=O)C2.
What is the InChIKey of 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is XTFUIQPRRMQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-7-3-13(9(10)14)4-8(7)12-6(2)11-5/h3-4H2,1-2H3,(H2,10,14).
What are the key properties of 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118389315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).