butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid

C19H19N3O2 — CID 66908874

IUPACbutyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1ccc2cc(-c3ncccn3)ccc2c1
InChIInChI=1S/C19H19N3O2/c1-2-3-11-22(19(23)24)17-8-7-14-12-16(6-5-15(14)13-17)18-20-9-4-10-21-18/h4-10,12-13H,2-3,11H2,1H3,(H,23,24)
InChIKeyUHOFSVBYFGERKD-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.58
Rot. Bonds5

About butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid

butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid (PubChem CID 66908874) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid.

Molecular Properties

Compound Namebutyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid
PubChem CID66908874
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namebutyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1ccc2cc(-c3ncccn3)ccc2c1
InChIInChI=1S/C19H19N3O2/c1-2-3-11-22(19(23)24)17-8-7-14-12-16(6-5-15(14)13-17)18-20-9-4-10-21-18/h4-10,12-13H,2-3,11H2,1H3,(H,23,24)
InChIKeyUHOFSVBYFGERKD-UHFFFAOYSA-N
XLogP4.58
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid?
The IUPAC name of butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid (CID 66908874) is butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid.
What is the SMILES notation for butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid?
The canonical SMILES for butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid is CCCCN(C(=O)O)c1ccc2cc(-c3ncccn3)ccc2c1.
What is the InChIKey of butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid?
The InChIKey is UHOFSVBYFGERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-11-22(19(23)24)17-8-7-14-12-16(6-5-15(14)13-17)18-20-9-4-10-21-18/h4-10,12-13H,2-3,11H2,1H3,(H,23,24).
What are the key properties of butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid?
butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid has a molecular weight of 321.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(6-pyrimidin-2-ylnaphthalen-2-yl)carbamic acid is sourced from PubChem (CID 66908874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).