1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

C14H13N3O2 — CID 753672

IUPAC1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3
InChIKeyFMBIQRHDCJYRLS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.03
Rot. Bonds1

About 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 753672) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID753672
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3
InChIKeyFMBIQRHDCJYRLS-UHFFFAOYSA-N
XLogP1.03
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 5282550
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CID 10066275
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CID 663643
CID 663643
CID 664394
CID 664394
CID 664477
CID 664477
CID 664496
CID 664496
CID 665353
CID 665353
CID 753710
CID 753710
CID 1992652
CID 1992652
CID 2018511
CID 2018511
CID 709856
CID 709856
CID 3043224
CID 3043224

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 753672) is 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FMBIQRHDCJYRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-15-12-9-17(10-6-4-3-5-7-10)8-11(12)13(18)16(2)14(15)19/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 255.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 753672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).