3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

C24H20N2O2 — CID 71525138

IUPAC3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cccc2ccccc12
InChIInChI=1S/C24H20N2O2/c27-23-15-17-25(16-7-10-19-8-2-1-3-9-19)24(28)26(23)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-15,17H,16,18H2/b10-7+
InChIKeySMCUBJAUNHQKQL-JXMROGBWSA-N
MW368.44 g/mol
LogP3.92
Rot. Bonds5

About 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione

3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (PubChem CID 71525138) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
PubChem CID71525138
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione
SMILESO=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cccc2ccccc12
InChIInChI=1S/C24H20N2O2/c27-23-15-17-25(16-7-10-19-8-2-1-3-9-19)24(28)26(23)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-15,17H,16,18H2/b10-7+
InChIKeySMCUBJAUNHQKQL-JXMROGBWSA-N
XLogP3.92
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Tritylaminopropyl)uracil
CID 11589642
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
1-[6-(Tritylamino)hexyl]pyrimidine-2,4-dione
CID 11568685
1-[4-(Tritylamino)butyl]pyrimidine-2,4-dione
CID 11604271
6-Azido-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 56924725
6-Amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 56924726
1-[(E)-cinnamyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 71525097
4-(2,4-dioxopyrimidin-1-yl)-N-trityl-butanamide
CID 72163748
6-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 155526533
1-[5-(Tritylamino)pentyl]pyrimidine-2,4-dione
CID 11611914
5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimidine-2,4-dione
CID 10003208
3-benzyl-1-[(E)-cinnamyl]pyrimidine-2,4-dione
CID 71525096

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione (CID 71525138) is 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
The InChIKey is SMCUBJAUNHQKQL-JXMROGBWSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-23-15-17-25(16-7-10-19-8-2-1-3-9-19)24(28)26(23)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-15,17H,16,18H2/b10-7+.
What are the key properties of 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione?
3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-1-[(E)-3-phenylprop-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71525138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).