5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione

C9H7Cl2N3O2 — CID 114759819

IUPAC5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(Cl)c(Cl)cnc21
InChIInChI=1S/C9H7Cl2N3O2/c1-2-14-7-5(8(15)13-9(14)16)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,15,16)
InChIKeyJBXPAPYQHBNBPN-UHFFFAOYSA-N
MW260.08 g/mol
LogP1.41
Rot. Bonds1

About 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione

5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 114759819) has the molecular formula C9H7Cl2N3O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID114759819
Molecular FormulaC9H7Cl2N3O2
Molecular Weight260.08 g/mol
Exact Mass258.99
IUPAC Name5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(Cl)c(Cl)cnc21
InChIInChI=1S/C9H7Cl2N3O2/c1-2-14-7-5(8(15)13-9(14)16)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,15,16)
InChIKeyJBXPAPYQHBNBPN-UHFFFAOYSA-N
XLogP1.41
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 114759819) is 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(Cl)c(Cl)cnc21.
What is the InChIKey of 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JBXPAPYQHBNBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2/c1-2-14-7-5(8(15)13-9(14)16)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,15,16).
What are the key properties of 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 260.08 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 114759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).