2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C23H24FN3O3 — CID 58448975

IUPAC2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)C3CCc4ccccc4O3)ccc2F)N=C1N
InChIInChI=1S/C23H24FN3O3/c1-23(13-21(29)27(2)22(25)26-23)16-11-14(7-9-17(16)24)12-18(28)20-10-8-15-5-3-4-6-19(15)30-20/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H2,25,26)
InChIKeyZONUDAPOEKNGEU-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.72
Rot. Bonds4

About 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 58448975) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID58448975
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)C3CCc4ccccc4O3)ccc2F)N=C1N
InChIInChI=1S/C23H24FN3O3/c1-23(13-21(29)27(2)22(25)26-23)16-11-14(7-9-17(16)24)12-18(28)20-10-8-15-5-3-4-6-19(15)30-20/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H2,25,26)
InChIKeyZONUDAPOEKNGEU-UHFFFAOYSA-N
XLogP2.72
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 58448975) is 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)C3CCc4ccccc4O3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is ZONUDAPOEKNGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-23(13-21(29)27(2)22(25)26-23)16-11-14(7-9-17(16)24)12-18(28)20-10-8-15-5-3-4-6-19(15)30-20/h3-7,9,11,20H,8,10,12-13H2,1-2H3,(H2,25,26).
What are the key properties of 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 409.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[2-(3,4-dihydro-2H-chromen-2-yl)-2-oxoethyl]-2-fluorophenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 58448975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).