7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione

C14H11ClN4O2 — CID 46503584

IUPAC7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2cnc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C14H11ClN4O2/c1-2-19-12-10(13(20)18-14(19)21)7-16-11(17-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,20,21)
InChIKeyFULRHAVVDIHJGM-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.82
Rot. Bonds2

About 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione

7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 46503584) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID46503584
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2cnc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C14H11ClN4O2/c1-2-19-12-10(13(20)18-14(19)21)7-16-11(17-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,20,21)
InChIKeyFULRHAVVDIHJGM-UHFFFAOYSA-N
XLogP1.82
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 46503584) is 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2cnc(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is FULRHAVVDIHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-2-19-12-10(13(20)18-14(19)21)7-16-11(17-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,18,20,21).
What are the key properties of 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione?
7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 302.72 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1-ethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 46503584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).