1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea

C23H24N4O2 — CID 166197402

IUPAC1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2C1)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C23H24N4O2/c28-22(25-15-17-9-10-19-6-1-2-7-20(19)13-17)26-21-8-3-5-18(14-21)16-27-12-4-11-24-23(27)29/h1-8,11-12,14,17H,9-10,13,15-16H2,(H2,25,26,28)
InChIKeyAVGBYLBNLJVPPD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.22
Rot. Bonds5

About 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea

1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (PubChem CID 166197402) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
PubChem CID166197402
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2C1)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C23H24N4O2/c28-22(25-15-17-9-10-19-6-1-2-7-20(19)13-17)26-21-8-3-5-18(14-21)16-27-12-4-11-24-23(27)29/h1-8,11-12,14,17H,9-10,13,15-16H2,(H2,25,26,28)
InChIKeyAVGBYLBNLJVPPD-UHFFFAOYSA-N
XLogP3.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea (CID 166197402) is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is O=C(NCC1CCc2ccccc2C1)Nc1cccc(Cn2cccnc2=O)c1.
What is the InChIKey of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
The InChIKey is AVGBYLBNLJVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(25-15-17-9-10-19-6-1-2-7-20(19)13-17)26-21-8-3-5-18(14-21)16-27-12-4-11-24-23(27)29/h1-8,11-12,14,17H,9-10,13,15-16H2,(H2,25,26,28).
What are the key properties of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea?
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea has a molecular weight of 388.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea is sourced from PubChem (CID 166197402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).