6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C18H21FN4O2 — CID 7678105

IUPAC6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(C1CCCCC1)CN2
InChIInChI=1S/C18H21FN4O2/c19-12-6-8-14(9-7-12)23-16-15(17(24)21-18(23)25)10-22(11-20-16)13-4-2-1-3-5-13/h6-9,13,20H,1-5,10-11H2,(H,21,24,25)
InChIKeyXEWOYTHHNZJRCW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.18
Rot. Bonds2

About 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 7678105) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID7678105
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(C1CCCCC1)CN2
InChIInChI=1S/C18H21FN4O2/c19-12-6-8-14(9-7-12)23-16-15(17(24)21-18(23)25)10-22(11-20-16)13-4-2-1-3-5-13/h6-9,13,20H,1-5,10-11H2,(H,21,24,25)
InChIKeyXEWOYTHHNZJRCW-UHFFFAOYSA-N
XLogP2.18
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 7678105) is 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1CN(C1CCCCC1)CN2.
What is the InChIKey of 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is XEWOYTHHNZJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-12-6-8-14(9-7-12)23-16-15(17(24)21-18(23)25)10-22(11-20-16)13-4-2-1-3-5-13/h6-9,13,20H,1-5,10-11H2,(H,21,24,25).
What are the key properties of 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 344.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(4-fluorophenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7678105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).