5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C20H17N3O2 — CID 17148086

IUPAC5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(=O)c2c(-c3cccc4ccccc34)ccnc21
InChIInChI=1S/C20H17N3O2/c1-12(2)23-18-17(19(24)22-20(23)25)16(10-11-21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-12H,1-2H3,(H,22,24,25)
InChIKeyLNRYBKUIJDXYHG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.49
Rot. Bonds2

About 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17148086) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17148086
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c(=O)c2c(-c3cccc4ccccc34)ccnc21
InChIInChI=1S/C20H17N3O2/c1-12(2)23-18-17(19(24)22-20(23)25)16(10-11-21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-12H,1-2H3,(H,22,24,25)
InChIKeyLNRYBKUIJDXYHG-UHFFFAOYSA-N
XLogP3.49
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 17148086) is 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c(=O)c2c(-c3cccc4ccccc34)ccnc21.
What is the InChIKey of 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LNRYBKUIJDXYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12(2)23-18-17(19(24)22-20(23)25)16(10-11-21-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17148086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).