5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one

C27H23N3O3 — CID 170790246

IUPAC5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(-c2ccc(OC)cc2)ncc(NCc2ccc3oc4ccccc4c3c2)c1=O
InChIInChI=1S/C27H23N3O3/c1-3-14-30-26(19-9-11-20(32-2)12-10-19)29-17-23(27(30)31)28-16-18-8-13-25-22(15-18)21-6-4-5-7-24(21)33-25/h3-13,15,17,28H,1,14,16H2,2H3
InChIKeyFGCVBPNYTFIJCT-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.62
Rot. Bonds7

About 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one

5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one (PubChem CID 170790246) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one
PubChem CID170790246
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(-c2ccc(OC)cc2)ncc(NCc2ccc3oc4ccccc4c3c2)c1=O
InChIInChI=1S/C27H23N3O3/c1-3-14-30-26(19-9-11-20(32-2)12-10-19)29-17-23(27(30)31)28-16-18-8-13-25-22(15-18)21-6-4-5-7-24(21)33-25/h3-13,15,17,28H,1,14,16H2,2H3
InChIKeyFGCVBPNYTFIJCT-UHFFFAOYSA-N
XLogP5.62
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetate
CID 170789795
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
tert-butyl 2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetate;2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 175993589
2-[4-(8-aminooctyl)phenyl]-5-(1-dibenzofuran-2-ylethylamino)-3-prop-2-enylpyrimidin-4-one;butane;(E)-N,2-dimethyl-3-(4-propan-2-yl-3-pyridinyl)prop-2-en-1-amine
CID 170790020
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
tert-butyl 2-[5-[3-(4-methoxyphenyl)propylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate
CID 170789760
tert-butyl 2-[2-[4-(7-azidoheptoxy)phenyl]-5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-oxopyrimidin-1-yl]acetate
CID 170789121
3-buta-2,3-dienyl-5-(dibenzofuran-2-ylmethylamino)-2-[(4E,6Z)-3-methylocta-4,6-dien-4-yl]pyrimidin-4-one;(E)-3-(4-butan-2-yl-3-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 170789183
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2602652
N-[(3,5-dimethoxyphenyl)methyl]dibenzofuran-4-amine
CID 22664094
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973

Frequently Asked Questions

What is the IUPAC name of 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one (CID 170790246) is 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one is C=CCn1c(-c2ccc(OC)cc2)ncc(NCc2ccc3oc4ccccc4c3c2)c1=O.
What is the InChIKey of 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one?
The InChIKey is FGCVBPNYTFIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-3-14-30-26(19-9-11-20(32-2)12-10-19)29-17-23(27(30)31)28-16-18-8-13-25-22(15-18)21-6-4-5-7-24(21)33-25/h3-13,15,17,28H,1,14,16H2,2H3.
What are the key properties of 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one?
5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one has a molecular weight of 437.50 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibenzofuran-2-ylmethylamino)-2-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 170790246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).