8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C22H28FN5O3 — CID 118982978

IUPAC8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCc1ccc(COc2cc3n(c(=O)n2)CCCN3CC(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C22H28FN5O3/c1-16-4-5-17(12-18(16)23)15-31-19-13-20-27(6-3-7-28(20)22(30)24-19)14-21(29)26-10-8-25(2)9-11-26/h4-5,12-13H,3,6-11,14-15H2,1-2H3
InChIKeyJIEKCIHYQVJJEK-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.25
Rot. Bonds5

About 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 118982978) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID118982978
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCc1ccc(COc2cc3n(c(=O)n2)CCCN3CC(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C22H28FN5O3/c1-16-4-5-17(12-18(16)23)15-31-19-13-20-27(6-3-7-28(20)22(30)24-19)14-21(29)26-10-8-25(2)9-11-26/h4-5,12-13H,3,6-11,14-15H2,1-2H3
InChIKeyJIEKCIHYQVJJEK-UHFFFAOYSA-N
XLogP1.25
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 118982978) is 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is Cc1ccc(COc2cc3n(c(=O)n2)CCCN3CC(=O)N2CCN(C)CC2)cc1F.
What is the InChIKey of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is JIEKCIHYQVJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-16-4-5-17(12-18(16)23)15-31-19-13-20-27(6-3-7-28(20)22(30)24-19)14-21(29)26-10-8-25(2)9-11-26/h4-5,12-13H,3,6-11,14-15H2,1-2H3.
What are the key properties of 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 429.50 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluoro-4-methylphenyl)methoxy]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 118982978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).