1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C18H15N3O2 — CID 10447808

IUPAC1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc4ccccc4c3)cc2n(C)c1=O
InChIInChI=1S/C18H15N3O2/c1-20-15-10-14(19-16(15)17(22)21(2)18(20)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,19H,1-2H3
InChIKeyIEJITEARAYTUMR-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.39
Rot. Bonds1

About 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10447808) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10447808
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc4ccccc4c3)cc2n(C)c1=O
InChIInChI=1S/C18H15N3O2/c1-20-15-10-14(19-16(15)17(22)21(2)18(20)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,19H,1-2H3
InChIKeyIEJITEARAYTUMR-UHFFFAOYSA-N
XLogP2.39
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10447808) is 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2[nH]c(-c3ccc4ccccc4c3)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IEJITEARAYTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-20-15-10-14(19-16(15)17(22)21(2)18(20)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,19H,1-2H3.
What are the key properties of 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-naphthalen-2-yl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10447808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).